N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine

C46H31N — CID 167183072

IUPACN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-11-32(12-3-1)33-23-27-38(28-24-33)47(39-29-25-36(26-30-39)41-20-10-15-34-13-4-6-16-40(34)41)45-31-37-22-21-35-14-5-7-17-42(35)46(37)44-19-9-8-18-43(44)45/h1-31H
InChIKeyHUQUZMARZBYUIO-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine

N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine (PubChem CID 167183072) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
PubChem CID167183072
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-11-32(12-3-1)33-23-27-38(28-24-33)47(39-29-25-36(26-30-39)41-20-10-15-34-13-4-6-16-40(34)41)45-31-37-22-21-35-14-5-7-17-42(35)46(37)44-19-9-8-18-43(44)45/h1-31H
InChIKeyHUQUZMARZBYUIO-UHFFFAOYSA-N
XLogP13.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 513.10
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)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412849
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
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
N,N-bis(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411336
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 154605807
N-benzo[c]phenanthren-5-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 167183035
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(4-benzo[c]phenanthren-5-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 167183664
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
2-benzo[c]phenanthren-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167183794
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine (CID 167183072) is N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4ccc5ccccc5c4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
The InChIKey is HUQUZMARZBYUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-11-32(12-3-1)33-23-27-38(28-24-33)47(39-29-25-36(26-30-39)41-20-10-15-34-13-4-6-16-40(34)41)45-31-37-22-21-35-14-5-7-17-42(35)46(37)44-19-9-8-18-43(44)45/h1-31H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine?
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine has a molecular weight of 597.76 g/mol, XLogP of 13.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine is sourced from PubChem (CID 167183072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).