N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine

C48H33N — CID 171054209

IUPACN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5ccc6ccccc6c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H33N/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-29-31-41(32-30-37)49(46-22-12-11-18-42(46)38-15-5-2-6-16-38)47-33-40-28-27-39-17-7-8-19-43(39)48(40)45-21-10-9-20-44(45)47/h1-33H
InChIKeySGELIJCXNFTPRC-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

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

N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine (PubChem CID 171054209) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine.

Molecular Properties

Compound NameN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
PubChem CID171054209
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC NameN-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5ccc6ccccc6c5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C48H33N/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-29-31-41(32-30-37)49(46-22-12-11-18-42(46)38-15-5-2-6-16-38)47-33-40-28-27-39-17-7-8-19-43(39)48(40)45-21-10-9-20-44(45)47/h1-33H
InChIKeySGELIJCXNFTPRC-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 167183072
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
N-[4-(4-benzo[c]phenanthren-5-ylphenyl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167182064
N-[2-(12-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 177100218
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
2-benzo[c]phenanthren-2-yl-4-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 167183799
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170135459
N-benzo[c]phenanthren-5-yl-N-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-3-amine
CID 167184540
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-phenyl-2-(4-phenylphenyl)aniline
CID 170141173
N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 170226506

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine?
The IUPAC name of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine (CID 171054209) is N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine.
What is the SMILES notation for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine?
The canonical SMILES for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cc5ccc6ccccc6c5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine?
The InChIKey is SGELIJCXNFTPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-3-13-34(14-4-1)35-23-25-36(26-24-35)37-29-31-41(32-30-37)49(46-22-12-11-18-42(46)38-15-5-2-6-16-38)47-33-40-28-27-39-17-7-8-19-43(39)48(40)45-21-10-9-20-44(45)47/h1-33H.
What are the key properties of N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine?
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine is sourced from PubChem (CID 171054209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).