N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline

C66H46N2 — CID 155373358

IUPACN-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
SMILESCC12c3ccccc3-c3cccc(c31)N(c1cccc3ccccc13)c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc12
InChIInChI=1S/C66H46N2/c1-66-60-28-14-13-26-58(60)59-27-16-30-64(65(59)66)68(62-29-15-24-50-23-11-12-25-57(50)62)63-40-35-51(44-61(63)66)49-33-38-55(39-34-49)67(54-36-31-48(32-37-54)45-17-5-2-6-18-45)56-42-52(46-19-7-3-8-20-46)41-53(43-56)47-21-9-4-10-22-47/h2-44H,1H3
InChIKeyPLILILZOPLAFNT-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.10
Rot. Bonds8

About N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline

N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 155373358) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID155373358
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
SMILESCC12c3ccccc3-c3cccc(c31)N(c1cccc3ccccc13)c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc12
InChIInChI=1S/C66H46N2/c1-66-60-28-14-13-26-58(60)59-27-16-30-64(65(59)66)68(62-29-15-24-50-23-11-12-25-57(50)62)63-40-35-51(44-61(63)66)49-33-38-55(39-34-49)67(54-36-31-48(32-37-54)45-17-5-2-6-18-45)56-42-52(46-19-7-3-8-20-46)41-53(43-56)47-21-9-4-10-22-47/h2-44H,1H3
InChIKeyPLILILZOPLAFNT-UHFFFAOYSA-N
XLogP18.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-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

N-[4-[4-(8-naphthalen-1-yl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 118532737
N-[4-[4-(N-(3,5-diphenylphenyl)-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59861267
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(11,11-dimethylbenzo[a]fluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139363610
10-naphthalen-1-yl-2-N',2-N',7-N',7-N'-tetraphenylspiro[acridine-9,9'-fluorene]-2',7'-diamine
CID 59513181
N-(4-phenylphenyl)-N-[4-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]naphthalen-1-yl]phenyl]naphthalen-1-amine
CID 90201309
9-naphthalen-1-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334261
3-(9,9-dimethylfluoren-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 170216191
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-3-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 169020283

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline (CID 155373358) is N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline is CC12c3ccccc3-c3cccc(c31)N(c1cccc3ccccc13)c1ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc12.
What is the InChIKey of N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is PLILILZOPLAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-66-60-28-14-13-26-58(60)59-27-16-30-64(65(59)66)68(62-29-15-24-50-23-11-12-25-57(50)62)63-40-35-51(44-61(63)66)49-33-38-55(39-34-49)67(54-36-31-48(32-37-54)45-17-5-2-6-18-45)56-42-52(46-19-7-3-8-20-46)41-53(43-56)47-21-9-4-10-22-47/h2-44H,1H3.
What are the key properties of N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline?
N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 867.11 g/mol, XLogP of 18.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methyl-13-naphthalen-1-yl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 155373358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).