N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine

C54H37N — CID 177081066

IUPACN-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3cccc(-c4ccc5ccccc5c4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-3-15-39(16-4-1)50-33-32-48(37-52(50)40-17-5-2-6-18-40)55(47-31-30-42-28-27-41-19-9-10-23-49(41)53(42)36-47)54-25-12-11-24-51(54)46-22-13-21-44(35-46)45-29-26-38-14-7-8-20-43(38)34-45/h1-37H
InChIKeyNXOFHGNFAMKSDC-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine

N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine (PubChem CID 177081066) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
PubChem CID177081066
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3cccc(-c4ccc5ccccc5c4)c3)cc2-c2ccccc2)cc1
InChIInChI=1S/C54H37N/c1-3-15-39(16-4-1)50-33-32-48(37-52(50)40-17-5-2-6-18-40)55(47-31-30-42-28-27-41-19-9-10-23-49(41)53(42)36-47)54-25-12-11-24-51(54)46-22-13-21-44(35-46)45-29-26-38-14-7-8-20-43(38)34-45/h1-37H
InChIKeyNXOFHGNFAMKSDC-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
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-[2-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-3-amine
CID 177080996
N-(3,4-diphenylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]phenanthren-3-amine
CID 177080942
N-(3,4-diphenylphenyl)-N-(3-naphthalen-2-yl-4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170054534
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 164831527
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
N-[3-(3-chrysen-6-ylphenyl)phenyl]-N-(2-phenylphenyl)naphthalen-2-amine
CID 170141177
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine (CID 177081066) is N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine is c1ccc(-c2ccc(N(c3ccc4ccc5ccccc5c4c3)c3ccccc3-c3cccc(-c4ccc5ccccc5c4)c3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine?
The InChIKey is NXOFHGNFAMKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-15-39(16-4-1)50-33-32-48(37-52(50)40-17-5-2-6-18-40)55(47-31-30-42-28-27-41-19-9-10-23-49(41)53(42)36-47)54-25-12-11-24-51(54)46-22-13-21-44(35-46)45-29-26-38-14-7-8-20-43(38)34-45/h1-37H.
What are the key properties of N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine?
N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diphenylphenyl)-N-[2-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-3-amine is sourced from PubChem (CID 177081066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).