7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine

C50H33N3 — CID 170404726

IUPAC7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6cnc7ccccc7c6)cc5)c5ccc(-c6cnc7ccccc7c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C50H33N3/c1-2-8-34(9-3-1)37-20-26-47-38(28-37)14-15-39-31-46(25-27-48(39)47)53(44-21-16-35(17-22-44)42-29-40-10-4-6-12-49(40)51-32-42)45-23-18-36(19-24-45)43-30-41-11-5-7-13-50(41)52-33-43/h1-33H
InChIKeyJUIOLGCNWKYESU-UHFFFAOYSA-N
MW675.84 g/mol
LogP13.56
Rot. Bonds6

About 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine

7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine (PubChem CID 170404726) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound Name7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine
PubChem CID170404726
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6cnc7ccccc7c6)cc5)c5ccc(-c6cnc7ccccc7c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C50H33N3/c1-2-8-34(9-3-1)37-20-26-47-38(28-37)14-15-39-31-46(25-27-48(39)47)53(44-21-16-35(17-22-44)42-29-40-10-4-6-12-49(40)51-32-42)45-23-18-36(19-24-45)43-30-41-11-5-7-13-50(41)52-33-43/h1-33H
InChIKeyJUIOLGCNWKYESU-UHFFFAOYSA-N
XLogP13.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
CID 170404750
N,N-bis[4-(4-phenanthren-2-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 135299426
N,N-bis(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 135299389
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
N,N-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenanthren-2-ylnaphthalen-2-amine
CID 164939243
4-methyl-N-(4-methylphenyl)-N-[4-(3-quinolin-3-ylphenyl)phenyl]aniline
CID 59012307
N,N-bis(4-phenylphenyl)chrysen-2-amine
CID 164748030
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
N,N-bis(4-benzo[f][1,7]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404499
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-2-yl]-N,N-diphenylaniline
CID 145009490
7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine
CID 170404405
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine?
The IUPAC name of 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine (CID 170404726) is 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine?
The canonical SMILES for 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine is c1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6cnc7ccccc7c6)cc5)c5ccc(-c6cnc7ccccc7c6)cc5)ccc43)c2)cc1.
What is the InChIKey of 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine?
The InChIKey is JUIOLGCNWKYESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-2-8-34(9-3-1)37-20-26-47-38(28-37)14-15-39-31-46(25-27-48(39)47)53(44-21-16-35(17-22-44)42-29-40-10-4-6-12-49(40)51-32-42)45-23-18-36(19-24-45)43-30-41-11-5-7-13-50(41)52-33-43/h1-33H.
What are the key properties of 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine?
7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine has a molecular weight of 675.84 g/mol, XLogP of 13.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N,N-bis(4-quinolin-3-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 170404726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).