N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine

C40H27N — CID 155304537

IUPACN-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2c(-c3ccc4ccccc4c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-17-32(18-3-1)41(38-24-12-16-29-14-6-7-19-33(29)38)40-37-23-11-9-21-35(37)34-20-8-10-22-36(34)39(40)31-26-25-28-13-4-5-15-30(28)27-31/h1-27H
InChIKeyCSPXQWOSOVTQBP-UHFFFAOYSA-N
MW521.66 g/mol
LogP11.44
Rot. Bonds4

About N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine

N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine (PubChem CID 155304537) has the molecular formula C40H27N and a molecular weight of 521.66 g/mol. Its IUPAC name is N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
PubChem CID155304537
Molecular FormulaC40H27N
Molecular Weight521.66 g/mol
Exact Mass521.21
IUPAC NameN-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2c(-c3ccc4ccccc4c3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C40H27N/c1-2-17-32(18-3-1)41(38-24-12-16-29-14-6-7-19-33(29)38)40-37-23-11-9-21-35(37)34-20-8-10-22-36(34)39(40)31-26-25-28-13-4-5-15-30(28)27-31/h1-27H
InChIKeyCSPXQWOSOVTQBP-UHFFFAOYSA-N
XLogP11.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.66
LogP ≤ 511.44
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-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155304881
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-naphthalen-1-yl-N-(4-phenanthren-3-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303332
N-naphthalen-1-yl-1-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 164774057
8,13-bis(3-naphthalen-2-ylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine
CID 89178016
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155305498
2-N,6-N-dinaphthalen-1-yl-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,2-N,6-N,6-N-tetraphenylanthracene-2,6-diamine;2-N,6-N,9,10-tetranaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 157149374
N-[4-[3-[10-[[4-[3-[10-(N,4-dinaphthalen-2-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-naphthalen-1-ylamino]phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(4-triphenylen-2-ylphenyl)phenanthren-9-amine
CID 155304882
9-N,10-N-dinaphthalen-2-yl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;2-N,6-N-dinaphthalen-1-yl-2-N,6-N,9,10-tetranaphthalen-2-ylanthracene-2,6-diamine;9-N,9-N,10-N,10-N-tetrakis(4-phenylphenyl)anthracene-9,10-diamine
CID 157087536
N-[4-[4-(4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)anilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327844
N-[4-(3,4-diphenylphenyl)phenyl]-10-naphthalen-2-yl-N-phenylphenanthren-9-amine
CID 155303461
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-10-phenylphenanthren-9-amine
CID 155303813

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
The IUPAC name of N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine (CID 155304537) is N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
The canonical SMILES for N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine is c1ccc(N(c2cccc3ccccc23)c2c(-c3ccc4ccccc4c3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
The InChIKey is CSPXQWOSOVTQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N/c1-2-17-32(18-3-1)41(38-24-12-16-29-14-6-7-19-33(29)38)40-37-23-11-9-21-35(37)34-20-8-10-22-36(34)39(40)31-26-25-28-13-4-5-15-30(28)27-31/h1-27H.
What are the key properties of N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine?
N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine has a molecular weight of 521.66 g/mol, XLogP of 11.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-10-naphthalen-2-yl-N-phenylphenanthren-9-amine is sourced from PubChem (CID 155304537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).