15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C57H40N2 — CID 129129157

IUPAC15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC1(C)c2cc3ccccc3cc2-c2nc(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c21
InChIInChI=1S/C57H40N2/c1-57(2)52-36-44-22-10-9-21-43(44)35-51(52)55-53(57)54(58-56(59-55)50-29-15-23-39-20-11-12-28-49(39)50)45-27-14-25-41(31-45)40-24-13-26-42(30-40)48-33-46(37-16-5-3-6-17-37)32-47(34-48)38-18-7-4-8-19-38/h3-36H,1-2H3
InChIKeyCFZJIXZPOVYWHD-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.09
Rot. Bonds6

About 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 129129157) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID129129157
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESCC1(C)c2cc3ccccc3cc2-c2nc(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c21
InChIInChI=1S/C57H40N2/c1-57(2)52-36-44-22-10-9-21-43(44)35-51(52)55-53(57)54(58-56(59-55)50-29-15-23-39-20-11-12-28-49(39)50)45-27-14-25-41(31-45)40-24-13-26-42(30-40)48-33-46(37-16-5-3-6-17-37)32-47(34-48)38-18-7-4-8-19-38/h3-36H,1-2H3
InChIKeyCFZJIXZPOVYWHD-UHFFFAOYSA-N
XLogP15.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

19-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-21,21-dimethyl-17-naphthalen-1-yl-16,18-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 129129133
15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-11,11-dimethyl-13-naphthalen-1-yl-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 129129060
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
CID 168779978
15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140785869
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 168777428
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778095
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
2-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)phenyl]naphthalen-1-yl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 168779131
2-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]-4-(3-naphthalen-2-ylphenyl)-6-phenylpyrimidine
CID 168778076
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002

Frequently Asked Questions

What is the IUPAC name of 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 129129157) is 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is CC1(C)c2cc3ccccc3cc2-c2nc(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c21.
What is the InChIKey of 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is CFZJIXZPOVYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)52-36-44-22-10-9-21-43(44)35-51(52)55-53(57)54(58-56(59-55)50-29-15-23-39-20-11-12-28-49(39)50)45-27-14-25-41(31-45)40-24-13-26-42(30-40)48-33-46(37-16-5-3-6-17-37)32-47(34-48)38-18-7-4-8-19-38/h3-36H,1-2H3.
What are the key properties of 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?
15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 752.96 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 129129157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).