N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine

C56H37N3 — CID 171463410

IUPACN-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cc7cccnc7c(-c7ccccc7)n6)cc5)ccc43)c2)cc1
InChIInChI=1S/C56H37N3/c1-3-10-38(11-4-1)45-25-31-52-46(35-45)19-20-47-36-51(30-32-53(47)52)59(49-26-21-40(22-27-49)44-18-17-39-12-7-8-15-43(39)34-44)50-28-23-41(24-29-50)54-37-48-16-9-33-57-55(48)56(58-54)42-13-5-2-6-14-42/h1-37H
InChIKeyBVOMYFQPOXVIKD-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.23
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine

N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine (PubChem CID 171463410) has the molecular formula C56H37N3 and a molecular weight of 751.93 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
PubChem CID171463410
Molecular FormulaC56H37N3
Molecular Weight751.93 g/mol
Exact Mass751.30
IUPAC NameN-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cc7cccnc7c(-c7ccccc7)n6)cc5)ccc43)c2)cc1
InChIInChI=1S/C56H37N3/c1-3-10-38(11-4-1)45-25-31-52-46(35-45)19-20-47-36-51(30-32-53(47)52)59(49-26-21-40(22-27-49)44-18-17-39-12-7-8-15-43(39)34-44)50-28-23-41(24-29-50)54-37-48-16-9-33-57-55(48)56(58-54)42-13-5-2-6-14-42/h1-37H
InChIKeyBVOMYFQPOXVIKD-UHFFFAOYSA-N
XLogP15.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 515.23
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-(4-isoquinolin-3-ylphenyl)-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463405
N-[4-([1]benzofuro[2,3-b]pyridin-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463386
N-[4-([1]benzofuro[2,3-b]pyridin-8-yl)phenyl]-4-phenanthren-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463423
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463408
7-naphthalen-2-yl-N,N-bis[4-(4,7-phenanthrolin-3-yl)phenyl]phenanthren-2-amine
CID 170404497
N,N-bis[4-(1,10-phenanthrolin-3-yl)phenyl]-7-phenylphenanthren-2-amine
CID 170404750
N-[4-([1]benzofuro[3,2-b]pyridin-2-yl)phenyl]-4-isoquinolin-6-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463370
7-isoquinolin-3-yl-N,N-bis(4-quinolin-6-ylphenyl)phenanthren-2-amine
CID 170404787
N-(4-isoquinolin-7-ylphenyl)-4-phenanthren-2-yl-N-[4-(4-phenyl-1,5-naphthyridin-2-yl)phenyl]aniline
CID 171463466
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-dibenzofuran-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463436
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-8-amine
CID 166860593

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine (CID 171463410) is N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine is c1ccc(-c2ccc3c(ccc4cc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6cc7cccnc7c(-c7ccccc7)n6)cc5)ccc43)c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine?
The InChIKey is BVOMYFQPOXVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3/c1-3-10-38(11-4-1)45-25-31-52-46(35-45)19-20-47-36-51(30-32-53(47)52)59(49-26-21-40(22-27-49)44-18-17-39-12-7-8-15-43(39)34-44)50-28-23-41(24-29-50)54-37-48-16-9-33-57-55(48)56(58-54)42-13-5-2-6-14-42/h1-37H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine?
N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine has a molecular weight of 751.93 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-7-phenyl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 171463410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).