6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene

C56H48 — CID 90805748

IUPAC6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene
SMILESCc1ccc2c(c1)C(C)(C)c1c-2c2c(c3c1-c1cc4c(-c5ccccc5)c5cc(C)ccc5c(-c5ccccc5)c4cc1C3(C)C)-c1ccc(C)cc1C2(C)C
InChIInChI=1S/C56H48/c1-31-20-23-36-39(26-31)47(35-18-14-11-15-19-35)40-29-42-45(30-41(40)46(36)34-16-12-10-13-17-34)56(8,9)53-49-37-24-21-32(2)27-43(37)54(4,5)51(49)48-38-25-22-33(3)28-44(38)55(6,7)52(48)50(42)53/h10-30H,1-9H3
InChIKeyNARKHJWKSGTXKV-UHFFFAOYSA-N
MW721.00 g/mol
LogP15.17
Rot. Bonds2

About 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene

6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene (PubChem CID 90805748) has the molecular formula C56H48 and a molecular weight of 721.00 g/mol. Its IUPAC name is 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene.

Molecular Properties

Compound Name6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene
PubChem CID90805748
Molecular FormulaC56H48
Molecular Weight721.00 g/mol
Exact Mass720.38
IUPAC Name6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene
SMILESCc1ccc2c(c1)C(C)(C)c1c-2c2c(c3c1-c1cc4c(-c5ccccc5)c5cc(C)ccc5c(-c5ccccc5)c4cc1C3(C)C)-c1ccc(C)cc1C2(C)C
InChIInChI=1S/C56H48/c1-31-20-23-36-39(26-31)47(35-18-14-11-15-19-35)40-29-42-45(30-41(40)46(36)34-16-12-10-13-17-34)56(8,9)53-49-37-24-21-32(2)27-43(37)54(4,5)51(49)48-38-25-22-33(3)28-44(38)55(6,7)52(48)50(42)53/h10-30H,1-9H3
InChIKeyNARKHJWKSGTXKV-UHFFFAOYSA-N
XLogP15.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.00
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene with MolForge

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Related Compounds

9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
24,31-bis(4-fluorophenyl)-9,9,18,18,35,35-hexamethylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29,31,33-hexadecaene
CID 88998717
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195621
9-(9,9-dimethylfluoren-4-yl)-10-(3,4-diphenylphenyl)-2-methylanthracene
CID 59195127
8,10,10-trimethyl-2-(10-phenylanthracen-9-yl)-5H-indeno[1,2-b]indole
CID 118312979
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
7,7,12,12-tetramethyl-6-(10-phenylanthracen-9-yl)indeno[1,2-c]fluorene
CID 158811185
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
21-fluoranthen-3-yl-10,10-dimethyl-14-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58175506
9,9,21,21-tetramethyl-6,18-bis(10-phenylanthracen-9-yl)hexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182575
10,10-dimethyl-7-perylen-3-yl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175309
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744

Frequently Asked Questions

What is the IUPAC name of 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene?
The IUPAC name of 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene (CID 90805748) is 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene.
What is the SMILES notation for 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene?
The canonical SMILES for 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene is Cc1ccc2c(c1)C(C)(C)c1c-2c2c(c3c1-c1cc4c(-c5ccccc5)c5cc(C)ccc5c(-c5ccccc5)c4cc1C3(C)C)-c1ccc(C)cc1C2(C)C.
What is the InChIKey of 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene?
The InChIKey is NARKHJWKSGTXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48/c1-31-20-23-36-39(26-31)47(35-18-14-11-15-19-35)40-29-42-45(30-41(40)46(36)34-16-12-10-13-17-34)56(8,9)53-49-37-24-21-32(2)27-43(37)54(4,5)51(49)48-38-25-22-33(3)28-44(38)55(6,7)52(48)50(42)53/h10-30H,1-9H3.
What are the key properties of 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene?
6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene has a molecular weight of 721.00 g/mol, XLogP of 15.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,9,15,18,18,27,35,35-nonamethyl-24,31-diphenylnonacyclo[18.15.0.02,10.03,8.011,19.012,17.021,34.023,32.025,30]pentatriaconta-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(34),22,24,26,28,30,32-hexadecaene is sourced from PubChem (CID 90805748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).