N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine

C44H29N — CID 59282181

IUPACN,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cc3cc(-c4cccc5ccccc45)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C44H29N/c1-2-18-33(19-3-1)45(42-27-13-17-31-15-5-7-21-35(31)42)43-29-32-28-41(36-26-12-16-30-14-4-6-20-34(30)36)37-22-8-10-24-39(37)44(32)40-25-11-9-23-38(40)43/h1-29H
InChIKeyFQHZAYYJEJYDRK-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

About N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine

N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine (PubChem CID 59282181) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine.

Molecular Properties

Compound NameN,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine
PubChem CID59282181
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cc3cc(-c4cccc5ccccc45)c4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C44H29N/c1-2-18-33(19-3-1)45(42-27-13-17-31-15-5-7-21-35(31)42)43-29-32-28-41(36-26-12-16-30-14-4-6-20-34(30)36)37-22-8-10-24-39(37)44(32)40-25-11-9-23-38(40)43/h1-29H
InChIKeyFQHZAYYJEJYDRK-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 512.59
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

9,9-dimethyl-N-naphthalen-1-yl-7-(5-naphthalen-1-ylbenzo[c]phenanthren-8-yl)-N-phenylfluoren-2-amine
CID 59282086
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 167183072
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 166589643
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-4-(6-phenyldibenzofuran-4-yl)aniline;4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;4-naphthalen-1-yl-N-phenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-phenanthren-9-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenanthren-9-amine
CID 158359450
N-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-phenylphenanthren-9-amine;N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 163586209

Frequently Asked Questions

What is the IUPAC name of N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine?
The IUPAC name of N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine (CID 59282181) is N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine.
What is the SMILES notation for N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine?
The canonical SMILES for N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine is c1ccc(N(c2cccc3ccccc23)c2cc3cc(-c4cccc5ccccc45)c4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine?
The InChIKey is FQHZAYYJEJYDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-2-18-33(19-3-1)45(42-27-13-17-31-15-5-7-21-35(31)42)43-29-32-28-41(36-26-12-16-30-14-4-6-20-34(30)36)37-22-8-10-24-39(37)44(32)40-25-11-9-23-38(40)43/h1-29H.
What are the key properties of N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine?
N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine has a molecular weight of 571.72 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dinaphthalen-1-yl-N-phenylbenzo[c]phenanthren-5-amine is sourced from PubChem (CID 59282181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).