N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine

C46H31N — CID 164774174

IUPACN-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-13-32(14-3-1)33-25-28-37(29-26-33)47(45-31-36-17-6-8-20-39(36)41-22-10-11-23-42(41)45)44-30-27-35-16-5-9-21-40(35)46(44)43-24-12-18-34-15-4-7-19-38(34)43/h1-31H
InChIKeyMZQKOHLAEIFLPE-UHFFFAOYSA-N
MW597.76 g/mol
LogP13.10
Rot. Bonds5

About N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine

N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 164774174) has the molecular formula C46H31N and a molecular weight of 597.76 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID164774174
Molecular FormulaC46H31N
Molecular Weight597.76 g/mol
Exact Mass597.25
IUPAC NameN-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C46H31N/c1-2-13-32(14-3-1)33-25-28-37(29-26-33)47(45-31-36-17-6-8-20-39(36)41-22-10-11-23-42(41)45)44-30-27-35-16-5-9-21-40(35)46(44)43-24-12-18-34-15-4-7-19-38(34)43/h1-31H
InChIKeyMZQKOHLAEIFLPE-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-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 166589643
N-phenanthren-9-yl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-6-amine
CID 171757563
N-(4-phenanthren-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172502552
1-naphthalen-1-yl-N,N-bis(2-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N,N-bis(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine;1-naphthalen-1-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 164980221
N-(4-chrysen-2-ylphenyl)-N-(2-phenylphenyl)phenanthren-9-amine
CID 170136320
1-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 164774553
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
1-naphthalen-1-yl-N,N-diphenylnaphthalen-2-amine
CID 163843201
11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-naphthalen-1-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-3-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenanthren-9-ylbenzo[b]fluoren-3-amine
CID 165014887
3-(4-naphthalen-1-ylphenyl)-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274764
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)chrysen-6-amine
CID 170135459

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine (CID 164774174) is N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3cccc4ccccc34)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is MZQKOHLAEIFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N/c1-2-13-32(14-3-1)33-25-28-37(29-26-33)47(45-31-36-17-6-8-20-39(36)41-22-10-11-23-42(41)45)44-30-27-35-16-5-9-21-40(35)46(44)43-24-12-18-34-15-4-7-19-38(34)43/h1-31H.
What are the key properties of N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine?
N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-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-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 164774174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).