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

C48H32N2 — CID 167184133

IUPACN-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N2/c1-3-16-33(17-4-1)37-21-11-13-27-43(37)50(46-32-35-31-30-34-18-7-8-22-38(34)47(35)41-25-10-9-23-39(41)46)45-29-15-26-42-40-24-12-14-28-44(40)49(48(42)45)36-19-5-2-6-20-36/h1-32H
InChIKeyXQGIZMXJZHGELQ-UHFFFAOYSA-N
MW636.80 g/mol
LogP13.38
Rot. Bonds5

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

N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (PubChem CID 167184133) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
PubChem CID167184133
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC NameN-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
SMILESc1ccc(-c2ccccc2N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C48H32N2/c1-3-16-33(17-4-1)37-21-11-13-27-43(37)50(46-32-35-31-30-34-18-7-8-22-38(34)47(35)41-25-10-9-23-39(41)46)45-29-15-26-42-40-24-12-14-28-44(40)49(48(42)45)36-19-5-2-6-20-36/h1-32H
InChIKeyXQGIZMXJZHGELQ-UHFFFAOYSA-N
XLogP13.38
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 513.38
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-(4-benzo[c]phenanthren-5-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167181795
N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170138552
N-(4-benzo[c]phenanthren-1-ylphenyl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 167182149
N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170041577
N-(4-benzo[a]carbazol-11-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167038156
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 155004211
N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 168809019
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
N-(4-carbazol-9-ylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790763

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine (CID 167184133) is N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is c1ccc(-c2ccccc2N(c2cc3ccc4ccccc4c3c3ccccc23)c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
The InChIKey is XQGIZMXJZHGELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-16-33(17-4-1)37-21-11-13-27-43(37)50(46-32-35-31-30-34-18-7-8-22-38(34)47(35)41-25-10-9-23-39(41)46)45-29-15-26-42-40-24-12-14-28-44(40)49(48(42)45)36-19-5-2-6-20-36/h1-32H.
What are the key properties of N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine?
N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine has a molecular weight of 636.80 g/mol, XLogP of 13.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-5-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine is sourced from PubChem (CID 167184133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).