N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine

C52H35N — CID 167183091

IUPACN-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)c3ccc4ccc(-c5ccccc5)cc4c3)cc2)cc1
InChIInChI=1S/C52H35N/c1-3-9-36(10-4-1)38-23-28-47(29-24-38)53(49-32-27-40-15-21-44(33-46(40)34-49)37-11-5-2-6-12-37)48-30-25-39(26-31-48)45-22-18-42-17-20-43-19-16-41-13-7-8-14-50(41)52(43)51(42)35-45/h1-35H
InChIKeyUXQJHKZZOPDBFM-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine

N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 167183091) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID167183091
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)c3ccc4ccc(-c5ccccc5)cc4c3)cc2)cc1
InChIInChI=1S/C52H35N/c1-3-9-36(10-4-1)38-23-28-47(29-24-38)53(49-32-27-40-15-21-44(33-46(40)34-49)37-11-5-2-6-12-37)48-30-25-39(26-31-48)45-22-18-42-17-20-43-19-16-41-13-7-8-14-50(41)52(43)51(42)35-45/h1-35H
InChIKeyUXQJHKZZOPDBFM-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
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-benzo[c]phenanthren-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 167183726
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N-phenyl-N-[4-(4-phenylphenyl)phenyl]benzo[g]phenanthren-3-amine
CID 167181851
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
N-(4-chrysen-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 170135838
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine (CID 167183091) is N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccc6ccc7ccccc7c6c5c4)cc3)c3ccc4ccc(-c5ccccc5)cc4c3)cc2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is UXQJHKZZOPDBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-3-9-36(10-4-1)38-23-28-47(29-24-38)53(49-32-27-40-15-21-44(33-46(40)34-49)37-11-5-2-6-12-37)48-30-25-39(26-31-48)45-22-18-42-17-20-43-19-16-41-13-7-8-14-50(41)52(43)51(42)35-45/h1-35H.
What are the key properties of N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-2-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167183091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).