N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

C54H36N2 — CID 167181795

IUPACN-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H36N2/c1-3-16-37(17-4-1)43-21-11-13-27-50(43)55(52-29-15-26-48-46-24-12-14-28-51(46)56(54(48)52)41-19-5-2-6-20-41)42-34-32-39(33-35-42)49-36-40-31-30-38-18-7-8-22-44(38)53(40)47-25-10-9-23-45(47)49/h1-36H
InChIKeyAXYGKHGHXFHYOI-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine

N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (PubChem CID 167181795) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
PubChem CID167181795
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C54H36N2/c1-3-16-37(17-4-1)43-21-11-13-27-50(43)55(52-29-15-26-48-46-24-12-14-28-51(46)56(54(48)52)41-19-5-2-6-20-41)42-34-32-39(33-35-42)49-36-40-31-30-38-18-7-8-22-44(38)53(40)47-25-10-9-23-45(47)49/h1-36H
InChIKeyAXYGKHGHXFHYOI-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167184133
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170138552
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]benzo[c]carbazol-11-amine
CID 169285240
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847541
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-(4-phenanthren-9-ylphenyl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502544

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (CID 167181795) is N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cc4ccc5ccccc5c4c4ccccc34)cc2)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The InChIKey is AXYGKHGHXFHYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-3-16-37(17-4-1)43-21-11-13-27-50(43)55(52-29-15-26-48-46-24-12-14-28-51(46)56(54(48)52)41-19-5-2-6-20-41)42-34-32-39(33-35-42)49-36-40-31-30-38-18-7-8-22-44(38)53(40)47-25-10-9-23-45(47)49/h1-36H.
What are the key properties of N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 167181795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).