16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine

C50H33N — CID 166031817

IUPAC16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(cc5ccccc35)-c3cc5cc(-c6ccccc6)ccc5cc3-4)cc2)cc1
InChIInChI=1S/C50H33N/c1-4-12-34(13-5-1)37-22-26-43(27-23-37)51(44-28-24-38(25-29-44)35-14-6-2-7-15-35)50-45-19-11-10-18-41(45)32-48-46-33-42-30-39(36-16-8-3-9-17-36)20-21-40(42)31-47(46)49(48)50/h1-33H
InChIKeyJIWZQYYKCRKNON-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.11
Rot. Bonds6

About 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine

16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine (PubChem CID 166031817) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine.

Molecular Properties

Compound Name16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
PubChem CID166031817
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC Name16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(cc5ccccc35)-c3cc5cc(-c6ccccc6)ccc5cc3-4)cc2)cc1
InChIInChI=1S/C50H33N/c1-4-12-34(13-5-1)37-22-26-43(27-23-37)51(44-28-24-38(25-29-44)35-14-6-2-7-15-35)50-45-19-11-10-18-41(45)32-48-46-33-42-30-39(36-16-8-3-9-17-36)20-21-40(42)31-47(46)49(48)50/h1-33H
InChIKeyJIWZQYYKCRKNON-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine 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-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033120
N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-3-amine
CID 166033362
N-(9,9-diphenylfluoren-4-yl)-16-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine
CID 166032156
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-5-amine
CID 166032937
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155303461
N-(3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 166032352
N-[4-(3,4-diphenylphenyl)phenyl]-N-phenyl-10-(6-phenylnaphthalen-2-yl)phenanthren-9-amine
CID 155305531
17-phenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033349
N-(4-naphthalen-1-ylphenyl)-17-phenyl-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032157
N-(2-tert-butylnaphthalen-1-yl)-N-(4-methylphenyl)-17-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728308

Frequently Asked Questions

What is the IUPAC name of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine?
The IUPAC name of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine (CID 166031817) is 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine.
What is the SMILES notation for 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine?
The canonical SMILES for 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3c4c(cc5ccccc35)-c3cc5cc(-c6ccccc6)ccc5cc3-4)cc2)cc1.
What is the InChIKey of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine?
The InChIKey is JIWZQYYKCRKNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-4-12-34(13-5-1)37-22-26-43(27-23-37)51(44-28-24-38(25-29-44)35-14-6-2-7-15-35)50-45-19-11-10-18-41(45)32-48-46-33-42-30-39(36-16-8-3-9-17-36)20-21-40(42)31-47(46)49(48)50/h1-33H.
What are the key properties of 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine?
16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine has a molecular weight of 647.82 g/mol, XLogP of 14.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-phenyl-N,N-bis(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2,4,6,8,10,13,15,17,19-decaen-3-amine is sourced from PubChem (CID 166031817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).