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

C56H35N — CID 166033349

IUPAC17-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
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4cc(-c6ccccc6)ccc4cc3-5)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C56H35N/c1-3-11-36(12-4-1)38-21-24-44(25-22-38)57(46-27-28-51-49-17-8-7-15-47(49)48-16-9-10-18-50(48)56(51)35-46)45-26-23-41-32-53-52-31-40-20-19-39(37-13-5-2-6-14-37)29-42(40)33-54(52)55(53)34-43(41)30-45/h1-35H
InChIKeyOGELEQGNDVOPEL-UHFFFAOYSA-N
MW721.90 g/mol
LogP15.90
Rot. Bonds5

About 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

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 (PubChem CID 166033349) has the molecular formula C56H35N and a molecular weight of 721.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-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
PubChem CID166033349
Molecular FormulaC56H35N
Molecular Weight721.90 g/mol
Exact Mass721.28
IUPAC Name17-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
SMILESc1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4cc(-c6ccccc6)ccc4cc3-5)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C56H35N/c1-3-11-36(12-4-1)38-21-24-44(25-22-38)57(46-27-28-51-49-17-8-7-15-47(49)48-16-9-10-18-50(48)56(51)35-46)45-26-23-41-32-53-52-31-40-20-19-39(37-13-5-2-6-14-37)29-42(40)33-54(52)55(53)34-43(41)30-45/h1-35H
InChIKeyOGELEQGNDVOPEL-UHFFFAOYSA-N
XLogP15.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.90
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-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
10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
CID 174257838
N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 157494706
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-triphenylen-2-ylanilino]phenyl]phenyl]triphenylen-2-amine
CID 58362096
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
N-(4-dibenzofuran-2-ylphenyl)-16-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 166033497
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
N-(3,4-dimethylphenyl)-16-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 166032300
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166032415
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4cc5c(cc4c3)-c3cc4cc(-c6ccccc6)ccc4cc3-5)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is OGELEQGNDVOPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N/c1-3-11-36(12-4-1)38-21-24-44(25-22-38)57(46-27-28-51-49-17-8-7-15-47(49)48-16-9-10-18-50(48)56(51)35-46)45-26-23-41-32-53-52-31-40-20-19-39(37-13-5-2-6-14-37)29-42(40)33-54(52)55(53)34-43(41)30-45/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 721.90 g/mol, XLogP of 15.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166033349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).