9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene

C42H32N2 — CID 163545739

IUPAC9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene
SMILESC1=CC2C3=C(CCc4c3c3ccccc3n4-c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2C=C1c1ccccc1
InChIInChI=1S/C42H32N2/c1-4-12-29(13-5-1)31-20-23-34(24-21-31)44-39-27-26-38-41(35-18-10-11-19-37(35)43(38)33-16-8-3-9-17-33)42(39)36-25-22-32(28-40(36)44)30-14-6-2-7-15-30/h1-25,28,36,40H,26-27H2
InChIKeyFEWTUCLEXRRPMW-UHFFFAOYSA-N
MW564.73 g/mol
LogP10.11
Rot. Bonds4

About 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene

9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene (PubChem CID 163545739) has the molecular formula C42H32N2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene.

Molecular Properties

Compound Name9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene
PubChem CID163545739
Molecular FormulaC42H32N2
Molecular Weight564.73 g/mol
Exact Mass564.26
IUPAC Name9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene
SMILESC1=CC2C3=C(CCc4c3c3ccccc3n4-c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2C=C1c1ccccc1
InChIInChI=1S/C42H32N2/c1-4-12-29(13-5-1)31-20-23-34(24-21-31)44-39-27-26-38-41(35-18-10-11-19-37(35)43(38)33-16-8-3-9-17-33)42(39)36-25-22-32(28-40(36)44)30-14-6-2-7-15-30/h1-25,28,36,40H,26-27H2
InChIKeyFEWTUCLEXRRPMW-UHFFFAOYSA-N
XLogP10.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene with MolForge

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Related Compounds

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CID 139456140
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982
5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576

Frequently Asked Questions

What is the IUPAC name of 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene?
The IUPAC name of 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene (CID 163545739) is 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene.
What is the SMILES notation for 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene?
The canonical SMILES for 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene is C1=CC2C3=C(CCc4c3c3ccccc3n4-c3ccccc3)N(c3ccc(-c4ccccc4)cc3)C2C=C1c1ccccc1.
What is the InChIKey of 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene?
The InChIKey is FEWTUCLEXRRPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2/c1-4-12-29(13-5-1)31-20-23-34(24-21-31)44-39-27-26-38-41(35-18-10-11-19-37(35)43(38)33-16-8-3-9-17-33)42(39)36-25-22-32(28-40(36)44)30-14-6-2-7-15-30/h1-25,28,36,40H,26-27H2.
What are the key properties of 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene?
9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene has a molecular weight of 564.73 g/mol, XLogP of 10.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene is sourced from PubChem (CID 163545739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).