3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene

C70H48N4 — CID 89115162

IUPAC3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5cccnc5c5c6ccccc6c6c(c7ccccc7c7c8ncccc8n(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)c76)c54)cc3)cc21
InChIInChI=1S/C70H48N4/c1-69(2)55-21-11-9-15-47(55)49-35-29-43(39-57(49)69)41-25-31-45(32-26-41)73-59-23-13-37-71-65(59)63-53-19-7-6-18-52(53)62-61(67(63)73)51-17-5-8-20-54(51)64-66-60(24-14-38-72-66)74(68(62)64)46-33-27-42(28-34-46)44-30-36-50-48-16-10-12-22-56(48)70(3,4)58(50)40-44/h5-40H,1-4H3
InChIKeyLXELNALGRCEKKO-UHFFFAOYSA-N
MW945.18 g/mol
LogP18.08
Rot. Bonds4

About 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene

3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene (PubChem CID 89115162) has the molecular formula C70H48N4 and a molecular weight of 945.18 g/mol. Its IUPAC name is 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene.

Molecular Properties

Compound Name3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
PubChem CID89115162
Molecular FormulaC70H48N4
Molecular Weight945.18 g/mol
Exact Mass944.39
IUPAC Name3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5cccnc5c5c6ccccc6c6c(c7ccccc7c7c8ncccc8n(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)c76)c54)cc3)cc21
InChIInChI=1S/C70H48N4/c1-69(2)55-21-11-9-15-47(55)49-35-29-43(39-57(49)69)41-25-31-45(32-26-41)73-59-23-13-37-71-65(59)63-53-19-7-6-18-52(53)62-61(67(63)73)51-17-5-8-20-54(51)64-66-60(24-14-38-72-66)74(68(62)64)46-33-27-42(28-34-46)44-30-36-50-48-16-10-12-22-56(48)70(3,4)58(50)40-44/h5-40H,1-4H3
InChIKeyLXELNALGRCEKKO-UHFFFAOYSA-N
XLogP18.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.18
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene with MolForge

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Related Compounds

3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
CID 89115165
10-[7-(4-carbazol-9-ylphenyl)-9,9-dimethylfluoren-2-yl]phenanthro[9,10-b]pyrazine
CID 129063786
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
5-(9,9-dimethyl-7-pyrido[3,2-b]indol-5-ylfluoren-2-yl)pyrido[3,2-b]indole
CID 135131175
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 67678690
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
9-[7-carbazol-9-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-phenylbenzimidazol-4-yl]carbazole
CID 140917912
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]quinolin-6-amine
CID 129201041
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523

Frequently Asked Questions

What is the IUPAC name of 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?
The IUPAC name of 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene (CID 89115162) is 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene.
What is the SMILES notation for 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?
The canonical SMILES for 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5cccnc5c5c6ccccc6c6c(c7ccccc7c7c8ncccc8n(-c8ccc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)cc8)c76)c54)cc3)cc21.
What is the InChIKey of 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?
The InChIKey is LXELNALGRCEKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N4/c1-69(2)55-21-11-9-15-47(55)49-35-29-43(39-57(49)69)41-25-31-45(32-26-41)73-59-23-13-37-71-65(59)63-53-19-7-6-18-52(53)62-61(67(63)73)51-17-5-8-20-54(51)64-66-60(24-14-38-72-66)74(68(62)64)46-33-27-42(28-34-46)44-30-36-50-48-16-10-12-22-56(48)70(3,4)58(50)40-44/h5-40H,1-4H3.
What are the key properties of 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?
3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene has a molecular weight of 945.18 g/mol, XLogP of 18.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,19-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene is sourced from PubChem (CID 89115162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).