3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene

C244H196 — CID 159057773

IUPAC3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4ccccc4c3)cc2C1(C)C.c1ccc(-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6ccc(-c7ccccc7)cc6)ccc-4c35)cc2)cc1.c1ccc2c(c1)c1cccc3c4cc5c6ccccc6c6cccc(c4cc2c13)c65
InChIInChI=1S/C50H44.C44H40.C41H36.C40H26.C39H34.C30H16/c1-48(2,3)36-24-33-16-17-35-28-44-47(40-23-20-34(25-36)45(33)46(35)40)39-22-19-32(27-43(39)50(44,6)7)30-14-12-29(13-15-30)31-18-21-38-37-10-8-9-11-41(37)49(4,5)42(38)26-31;1-42(2,3)30-20-27-12-13-29-24-38-41(34-19-16-28(21-30)39(27)40(29)34)33-18-15-26(23-37(33)44(38,6)7)25-14-17-32-31-10-8-9-11-35(31)43(4,5)36(32)22-25;1-40(2,3)32-21-29-15-16-31-24-36-39(34-20-18-30(22-32)37(29)38(31)34)33-19-17-28(23-35(33)41(36,4)5)27-13-11-26(12-14-27)25-9-7-6-8-10-25;1-3-8-27(9-4-1)29-14-16-31(17-15-29)33-22-23-35-38-25-24-34(36-12-7-13-37(40(36)38)39(35)26-33)32-20-18-30(19-21-32)28-10-5-2-6-11-28;1-38(2,3)30-19-27-12-13-29-22-34-37(32-17-15-28(20-30)35(27)36(29)32)31-16-14-26(21-33(31)39(34,4)5)25-11-10-23-8-6-7-9-24(23)18-25;1-3-9-19-17(7-1)21-11-5-13-23-26-16-28-20-10-4-2-8-18(20)22-12-6-14-24(30(22)28)25(26)15-27(19)29(21)23/h8-19,21-28,47H,20H2,1-7H3;8-15,17-24,41H,16H2,1-7H3;6-17,19-24,39H,18H2,1-5H3;1-26H;6-14,16-22,37H,15H2,1-5H3;1-16H
InChIKeyJYBRBPPSWDOENX-UHFFFAOYSA-N
MW3128.25 g/mol
LogP65.75
Rot. Bonds10

About 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene

3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene (PubChem CID 159057773) has the molecular formula C244H196 and a molecular weight of 3128.25 g/mol. Its IUPAC name is 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene.

Molecular Properties

Compound Name3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene
PubChem CID159057773
Molecular FormulaC244H196
Molecular Weight3128.25 g/mol
Exact Mass3125.53
IUPAC Name3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene
SMILESCC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4ccccc4c3)cc2C1(C)C.c1ccc(-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6ccc(-c7ccccc7)cc6)ccc-4c35)cc2)cc1.c1ccc2c(c1)c1cccc3c4cc5c6ccccc6c6cccc(c4cc2c13)c65
InChIInChI=1S/C50H44.C44H40.C41H36.C40H26.C39H34.C30H16/c1-48(2,3)36-24-33-16-17-35-28-44-47(40-23-20-34(25-36)45(33)46(35)40)39-22-19-32(27-43(39)50(44,6)7)30-14-12-29(13-15-30)31-18-21-38-37-10-8-9-11-41(37)49(4,5)42(38)26-31;1-42(2,3)30-20-27-12-13-29-24-38-41(34-19-16-28(21-30)39(27)40(29)34)33-18-15-26(23-37(33)44(38,6)7)25-14-17-32-31-10-8-9-11-35(31)43(4,5)36(32)22-25;1-40(2,3)32-21-29-15-16-31-24-36-39(34-20-18-30(22-32)37(29)38(31)34)33-19-17-28(23-35(33)41(36,4)5)27-13-11-26(12-14-27)25-9-7-6-8-10-25;1-3-8-27(9-4-1)29-14-16-31(17-15-29)33-22-23-35-38-25-24-34(36-12-7-13-37(40(36)38)39(35)26-33)32-20-18-30(19-21-32)28-10-5-2-6-11-28;1-38(2,3)30-19-27-12-13-29-22-34-37(32-17-15-28(20-30)35(27)36(29)32)31-16-14-26(21-33(31)39(34,4)5)25-11-10-23-8-6-7-9-24(23)18-25;1-3-9-19-17(7-1)21-11-5-13-23-26-16-28-20-10-4-2-8-18(20)22-12-6-14-24(30(22)28)25(26)15-27(19)29(21)23/h8-19,21-28,47H,20H2,1-7H3;8-15,17-24,41H,16H2,1-7H3;6-17,19-24,39H,18H2,1-5H3;1-26H;6-14,16-22,37H,15H2,1-5H3;1-16H
InChIKeyJYBRBPPSWDOENX-UHFFFAOYSA-N
XLogP65.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms244
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003128.25
LogP ≤ 565.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
The IUPAC name of 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene (CID 159057773) is 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene.
What is the SMILES notation for 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
The canonical SMILES for 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene is CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C.CC(C)(C)c1cc2c3c4c(ccc3c1)C=C1C(C4=CC2)c2ccc(-c3ccc4ccccc4c3)cc2C1(C)C.c1ccc(-c2ccc(-c3ccc4c(c3)-c3cccc5c(-c6ccc(-c7ccccc7)cc6)ccc-4c35)cc2)cc1.c1ccc2c(c1)c1cccc3c4cc5c6ccccc6c6cccc(c4cc2c13)c65.
What is the InChIKey of 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
The InChIKey is JYBRBPPSWDOENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44.C44H40.C41H36.C40H26.C39H34.C30H16/c1-48(2,3)36-24-33-16-17-35-28-44-47(40-23-20-34(25-36)45(33)46(35)40)39-22-19-32(27-43(39)50(44,6)7)30-14-12-29(13-15-30)31-18-21-38-37-10-8-9-11-41(37)49(4,5)42(38)26-31;1-42(2,3)30-20-27-12-13-29-24-38-41(34-19-16-28(21-30)39(27)40(29)34)33-18-15-26(23-37(33)44(38,6)7)25-14-17-32-31-10-8-9-11-35(31)43(4,5)36(32)22-25;1-40(2,3)32-21-29-15-16-31-24-36-39(34-20-18-30(22-32)37(29)38(31)34)33-19-17-28(23-35(33)41(36,4)5)27-13-11-26(12-14-27)25-9-7-6-8-10-25;1-3-8-27(9-4-1)29-14-16-31(17-15-29)33-22-23-35-38-25-24-34(36-12-7-13-37(40(36)38)39(35)26-33)32-20-18-30(19-21-32)28-10-5-2-6-11-28;1-38(2,3)30-19-27-12-13-29-22-34-37(32-17-15-28(20-30)35(27)36(29)32)31-16-14-26(21-33(31)39(34,4)5)25-11-10-23-8-6-7-9-24(23)18-25;1-3-9-19-17(7-1)21-11-5-13-23-26-16-28-20-10-4-2-8-18(20)22-12-6-14-24(30(22)28)25(26)15-27(19)29(21)23/h8-19,21-28,47H,20H2,1-7H3;8-15,17-24,41H,16H2,1-7H3;6-17,19-24,39H,18H2,1-5H3;1-26H;6-14,16-22,37H,15H2,1-5H3;1-16H.
What are the key properties of 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene?
3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene has a molecular weight of 3128.25 g/mol, XLogP of 65.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(4-phenylphenyl)fluoranthene;17-tert-butyl-6-(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-naphthalen-2-ylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;17-tert-butyl-9,9-dimethyl-6-(4-phenylphenyl)hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene;octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5,7,9,11(30),12,14,17,19,21,23,25(29),26-pentadecaene is sourced from PubChem (CID 159057773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).