N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine

C62H43N — CID 169064818

IUPACN-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H43N/c1-6-21-44(22-7-1)50-39-42-52(57(43-50)46-25-10-3-11-26-46)47-37-40-51(41-38-47)63(58-35-19-18-31-53(58)45-23-8-2-9-24-45)59-36-20-34-56-54-32-16-17-33-55(54)60(48-27-12-4-13-28-48)61(62(56)59)49-29-14-5-15-30-49/h1-43H
InChIKeyBARGAEIKZBJYAA-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

About N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine

N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine (PubChem CID 169064818) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine.

Molecular Properties

Compound NameN-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
PubChem CID169064818
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H43N/c1-6-21-44(22-7-1)50-39-42-52(57(43-50)46-25-10-3-11-26-46)47-37-40-51(41-38-47)63(58-35-19-18-31-53(58)45-23-8-2-9-24-45)59-36-20-34-56-54-32-16-17-33-55(54)60(48-27-12-4-13-28-48)61(62(56)59)49-29-14-5-15-30-49/h1-43H
InChIKeyBARGAEIKZBJYAA-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 517.46
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-[4-(3,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169063236
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-4-amine
CID 169065488
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169063751
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-3,4-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064902
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2,6-diphenylaniline
CID 169062930
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 169063252

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine?
The IUPAC name of N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine (CID 169064818) is N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine.
What is the SMILES notation for N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine?
The canonical SMILES for N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4cccc5c4c(-c4ccccc4)c(-c4ccccc4)c4ccccc45)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine?
The InChIKey is BARGAEIKZBJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-6-21-44(22-7-1)50-39-42-52(57(43-50)46-25-10-3-11-26-46)47-37-40-51(41-38-47)63(58-35-19-18-31-53(58)45-23-8-2-9-24-45)59-36-20-34-56-54-32-16-17-33-55(54)60(48-27-12-4-13-28-48)61(62(56)59)49-29-14-5-15-30-49/h1-43H.
What are the key properties of N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine?
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine is sourced from PubChem (CID 169064818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).