N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

C46H31N — CID 167182181

IUPACN-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-9-32(10-3-1)34-21-26-40(27-22-34)47(42-30-23-33-11-4-5-13-39(33)31-42)41-28-24-36(25-29-41)44-16-8-14-37-19-20-38-18-17-35-12-6-7-15-43(35)46(38)45(37)44/h1-31H
InChIKeyNMIUHIWASJEJMB-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine

N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 167182181) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID167182181
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-9-32(10-3-1)34-21-26-40(27-22-34)47(42-30-23-33-11-4-5-13-39(33)31-42)41-28-24-36(25-29-41)44-16-8-14-37-19-20-38-18-17-35-12-6-7-15-43(35)46(38)45(37)44/h1-31H
InChIKeyNMIUHIWASJEJMB-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-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
N-[3-(4-benzo[c]phenanthren-1-ylphenyl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167182328
4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 167184269
4-(3-benzo[c]phenanthren-1-ylphenyl)-N,3-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167183655
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130466814
5-naphthalen-1-yl-3-N-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 146663317
N-(4-naphthalen-2-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 168809650
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]naphthalen-2-amine;N-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 159824921
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine (CID 167182181) is N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is NMIUHIWASJEJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-9-32(10-3-1)34-21-26-40(27-22-34)47(42-30-23-33-11-4-5-13-39(33)31-42)41-28-24-36(25-29-41)44-16-8-14-37-19-20-38-18-17-35-12-6-7-15-43(35)46(38)45(37)44/h1-31H.
What are the key properties of N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine?
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-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-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167182181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).