N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine

C60H41N — CID 166659579

IUPACN-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc5c(ccc6ccccc65)c4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H41N/c1-3-13-42(14-4-1)49-33-37-59(60(41-49)46-15-5-2-6-16-46)50-20-11-21-53(39-50)61(54-36-38-58-51(40-54)30-29-47-18-8-10-23-56(47)58)52-34-31-44(32-35-52)43-25-27-48(28-26-43)57-24-12-19-45-17-7-9-22-55(45)57/h1-41H
InChIKeyZMQYZCMELRNTBL-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.95
Rot. Bonds8

About N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine

N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine (PubChem CID 166659579) has the molecular formula C60H41N and a molecular weight of 776.00 g/mol. Its IUPAC name is N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine.

Molecular Properties

Compound NameN-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
PubChem CID166659579
Molecular FormulaC60H41N
Molecular Weight776.00 g/mol
Exact Mass775.32
IUPAC NameN-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc5c(ccc6ccccc65)c4)c3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C60H41N/c1-3-13-42(14-4-1)49-33-37-59(60(41-49)46-15-5-2-6-16-46)50-20-11-21-53(39-50)61(54-36-38-58-51(40-54)30-29-47-18-8-10-23-56(47)58)52-34-31-44(32-35-52)43-25-27-48(28-26-43)57-24-12-19-45-17-7-9-22-55(45)57/h1-41H
InChIKeyZMQYZCMELRNTBL-UHFFFAOYSA-N
XLogP16.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.95
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

3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
4-chrysen-2-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170141753
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
N-[4-(2,5-diphenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)phenanthren-2-amine
CID 167297488
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
The IUPAC name of N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine (CID 166659579) is N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine.
What is the SMILES notation for N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
The canonical SMILES for N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc5c(ccc6ccccc65)c4)c3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
The InChIKey is ZMQYZCMELRNTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N/c1-3-13-42(14-4-1)49-33-37-59(60(41-49)46-15-5-2-6-16-46)50-20-11-21-53(39-50)61(54-36-38-58-51(40-54)30-29-47-18-8-10-23-56(47)58)52-34-31-44(32-35-52)43-25-27-48(28-26-43)57-24-12-19-45-17-7-9-22-55(45)57/h1-41H.
What are the key properties of N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine?
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine has a molecular weight of 776.00 g/mol, XLogP of 16.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine is sourced from PubChem (CID 166659579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).