N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine

C47H38N2 — CID 167247138

IUPACN-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine
SMILESC1=CC2c3ccccc3N(c3cccc(-c4ccccc4)c3)C2CC2=C1C=CC(N(c1ccccc1)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C47H38N2/c1-4-13-34(14-5-1)36-23-27-41(28-24-36)48(40-18-8-3-9-19-40)43-29-25-37-26-30-45-44-21-10-11-22-46(44)49(47(45)33-39(37)32-43)42-20-12-17-38(31-42)35-15-6-2-7-16-35/h1-31,43,45,47H,32-33H2
InChIKeyXOAUHLBDYXSAON-UHFFFAOYSA-N
MW630.84 g/mol
LogP12.05
Rot. Bonds6

About N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine

N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine (PubChem CID 167247138) has the molecular formula C47H38N2 and a molecular weight of 630.84 g/mol. Its IUPAC name is N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine.

Molecular Properties

Compound NameN-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine
PubChem CID167247138
Molecular FormulaC47H38N2
Molecular Weight630.84 g/mol
Exact Mass630.30
IUPAC NameN-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine
SMILESC1=CC2c3ccccc3N(c3cccc(-c4ccccc4)c3)C2CC2=C1C=CC(N(c1ccccc1)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C47H38N2/c1-4-13-34(14-5-1)36-23-27-41(28-24-36)48(40-18-8-3-9-19-40)43-29-25-37-26-30-45-44-21-10-11-22-46(44)49(47(45)33-39(37)32-43)42-20-12-17-38(31-42)35-15-6-2-7-16-35/h1-31,43,45,47H,32-33H2
InChIKeyXOAUHLBDYXSAON-UHFFFAOYSA-N
XLogP12.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.84
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine with MolForge

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Related Compounds

3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
N-[4-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154947238
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)-4a,9a-dihydrocarbazol-2-yl]carbazole
CID 168748236
6-bromo-9-(3-phenylphenyl)-4a,9a-dihydrocarbazole
CID 123494743
9-(5-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)-2-[9-(3-phenylphenyl)-1,2,4a,9a-tetrahydrocarbazol-2-yl]carbazole
CID 134390783
9,9-dimethyl-N-phenyl-7-(9-phenyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 137493655
9-(3-phenylphenyl)-6-(6,7,8,9-tetrahydrodibenzofuran-2-yl)-1,2,4a,9a-tetrahydrocarbazole
CID 166797350
N,N,9-triphenyl-6-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-2-amine
CID 170278089
9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 129301169
7-(4a,9a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168721277
N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)-9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 167154612

Frequently Asked Questions

What is the IUPAC name of N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine?
The IUPAC name of N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine (CID 167247138) is N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine.
What is the SMILES notation for N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine?
The canonical SMILES for N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine is C1=CC2c3ccccc3N(c3cccc(-c4ccccc4)c3)C2CC2=C1C=CC(N(c1ccccc1)c1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine?
The InChIKey is XOAUHLBDYXSAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H38N2/c1-4-13-34(14-5-1)36-23-27-41(28-24-36)48(40-18-8-3-9-19-40)43-29-25-37-26-30-45-44-21-10-11-22-46(44)49(47(45)33-39(37)32-43)42-20-12-17-38(31-42)35-15-6-2-7-16-35/h1-31,43,45,47H,32-33H2.
What are the key properties of N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine?
N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine has a molecular weight of 630.84 g/mol, XLogP of 12.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-18-(3-phenylphenyl)-N-(4-phenylphenyl)-18-azatetracyclo[9.7.0.03,8.012,17]octadeca-3(8),6,9,12,14,16-hexaen-5-amine is sourced from PubChem (CID 167247138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).