4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline

C54H36N2O — CID 153475742

IUPAC4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)c7cc8ccccc8cc7n6c5c4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-12-37(13-5-1)39-20-27-46(28-21-39)55(47-29-22-40(23-30-47)38-14-6-2-7-15-38)48-31-24-41(25-32-48)45-26-33-52-51(36-45)56-50-35-44-19-11-10-18-43(44)34-49(50)53(54(56)57-52)42-16-8-3-9-17-42/h1-36H
InChIKeyGGMHICDXVIGYSI-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.13
Rot. Bonds7

About 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 153475742) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID153475742
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC Name4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)c7cc8ccccc8cc7n6c5c4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-12-37(13-5-1)39-20-27-46(28-21-39)55(47-29-22-40(23-30-47)38-14-6-2-7-15-38)48-31-24-41(25-32-48)45-26-33-52-51(36-45)56-50-35-44-19-11-10-18-43(44)34-49(50)53(54(56)57-52)42-16-8-3-9-17-42/h1-36H
InChIKeyGGMHICDXVIGYSI-UHFFFAOYSA-N
XLogP15.13
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 153475880
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
N,N-diphenyl-4-[11-phenyl-7-(2-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-9-yl]aniline
CID 153475743
N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631424
1-(4-naphthalen-2-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281230
N-(4-naphthalen-2-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399078
11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309
N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401801
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]phenanthren-9-amine
CID 153475781
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 153475742) is 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5oc6c(-c7ccccc7)c7cc8ccccc8cc7n6c5c4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is GGMHICDXVIGYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-12-37(13-5-1)39-20-27-46(28-21-39)55(47-29-22-40(23-30-47)38-14-6-2-7-15-38)48-31-24-41(25-32-48)45-26-33-52-51(36-45)56-50-35-44-19-11-10-18-43(44)34-49(50)53(54(56)57-52)42-16-8-3-9-17-42/h1-36H.
What are the key properties of 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 728.90 g/mol, XLogP of 15.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(11-phenyl-9-oxa-2-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),4,6,10,12,14,16,18-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 153475742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).