N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine

C44H29N — CID 168809817

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5c4ccc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C44H29N/c1-4-13-37-30(9-1)12-7-16-38(37)33-21-25-35(26-22-33)45(36-27-23-34-20-19-31-10-3-6-15-40(31)43(34)29-36)44-18-8-17-41-39-14-5-2-11-32(39)24-28-42(41)44/h1-29H
InChIKeyCDYKORKFWZDILP-UHFFFAOYSA-N
MW571.72 g/mol
LogP12.59
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine (PubChem CID 168809817) has the molecular formula C44H29N and a molecular weight of 571.72 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
PubChem CID168809817
Molecular FormulaC44H29N
Molecular Weight571.72 g/mol
Exact Mass571.23
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5c4ccc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C44H29N/c1-4-13-37-30(9-1)12-7-16-38(37)33-21-25-35(26-22-33)45(36-27-23-34-20-19-31-10-3-6-15-40(31)43(34)29-36)44-18-8-17-41-39-14-5-2-11-32(39)24-28-42(41)44/h1-29H
InChIKeyCDYKORKFWZDILP-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

4-chrysen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-1-amine
CID 170141734
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
N-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080996
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-6-amine
CID 177100449
N-(4-chrysen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 170141965
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809661
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-1-ylphenyl)phenanthren-1-amine
CID 169062488
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-[2-(4-chrysen-3-yl-2-phenylphenyl)phenyl]-N-phenylphenanthren-3-amine
CID 170141651

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine (CID 168809817) is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine is c1ccc2c(-c3ccc(N(c4ccc5ccc6ccccc6c5c4)c4cccc5c4ccc4ccccc45)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine?
The InChIKey is CDYKORKFWZDILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N/c1-4-13-37-30(9-1)12-7-16-38(37)33-21-25-35(26-22-33)45(36-27-23-34-20-19-31-10-3-6-15-40(31)43(34)29-36)44-18-8-17-41-39-14-5-2-11-32(39)24-28-42(41)44/h1-29H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-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-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine is sourced from PubChem (CID 168809817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).