9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

C33H22N2 — CID 143396339

IUPAC9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3)c3c2nc2ccccn23)cc1
InChIInChI=1S/C33H22N2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)31-28-20-10-9-19-27(28)30(24-15-5-2-6-16-24)33-32(31)34-29-21-11-12-22-35(29)33/h1-22H
InChIKeyOHKRTZVZPFOVJK-UHFFFAOYSA-N
MW446.55 g/mol
LogP8.64
Rot. Bonds3

About 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene

9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (PubChem CID 143396339) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.

Molecular Properties

Compound Name9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
PubChem CID143396339
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3)c3c2nc2ccccn23)cc1
InChIInChI=1S/C33H22N2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)31-28-20-10-9-19-27(28)30(24-15-5-2-6-16-24)33-32(31)34-29-21-11-12-22-35(29)33/h1-22H
InChIKeyOHKRTZVZPFOVJK-UHFFFAOYSA-N
XLogP8.64
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene with MolForge

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Related Compounds

2,9-dinaphthalen-1-yl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 58121796
2,9-bis[4-[(E)-2-phenylethenyl]phenyl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 58121907
9-[4-(4,6-dinaphthalen-1-yl-2-phenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 146325473
8,9-bis[4-(2-phenylethynyl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 177392825
[4-[2-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 59211458
16-[4-(2-phenylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 118458480
9-[3-(2-phenanthren-9-yl-4,6-diphenylpyrimidin-5-yl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 146325587
3-chloro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine
CID 133055370
3-fluoro-2-(2-phenylphenyl)imidazo[1,2-a]pyridine
CID 133055008
9-(4-phenanthren-9-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392950
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
9-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393720

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The IUPAC name of 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene (CID 143396339) is 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene.
What is the SMILES notation for 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The canonical SMILES for 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3)c3c2nc2ccccn23)cc1.
What is the InChIKey of 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
The InChIKey is OHKRTZVZPFOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-13-23(14-4-1)25-17-7-8-18-26(25)31-28-20-10-9-19-27(28)30(24-15-5-2-6-16-24)33-32(31)34-29-21-11-12-22-35(29)33/h1-22H.
What are the key properties of 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene?
9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene has a molecular weight of 446.55 g/mol, XLogP of 8.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene is sourced from PubChem (CID 143396339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).