N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine

C62H43N — CID 169062280

IUPACN,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H43N/c1-7-22-44(23-8-1)50-38-40-57(55(42-50)46-26-11-3-12-27-46)63(58-41-39-51(45-24-9-2-10-25-45)43-56(58)47-28-13-4-14-29-47)59-37-21-36-54-61(49-32-17-6-18-33-49)60(48-30-15-5-16-31-48)52-34-19-20-35-53(52)62(54)59/h1-43H
InChIKeyWKXVHXCRLYNFNY-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

About N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine

N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine (PubChem CID 169062280) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine.

Molecular Properties

Compound NameN,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine
PubChem CID169062280
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H43N/c1-7-22-44(23-8-1)50-38-40-57(55(42-50)46-26-11-3-12-27-46)63(58-41-39-51(45-24-9-2-10-25-45)43-56(58)47-28-13-4-14-29-47)59-37-21-36-54-61(49-32-17-6-18-33-49)60(48-30-15-5-16-31-48)52-34-19-20-35-53(52)62(54)59/h1-43H
InChIKeyWKXVHXCRLYNFNY-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-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-4-amine
CID 169065488
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-2,4-diphenyl-N-(2-phenylphenyl)aniline
CID 169065535
9,10-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 169063139
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 169063064
N-[4-(2,4-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-1-amine
CID 169064818
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-(3,5-diphenylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-4-amine
CID 169064773
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 169062049
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine?
The IUPAC name of N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine (CID 169062280) is N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine.
What is the SMILES notation for N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine?
The canonical SMILES for N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine?
The InChIKey is WKXVHXCRLYNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-7-22-44(23-8-1)50-38-40-57(55(42-50)46-26-11-3-12-27-46)63(58-41-39-51(45-24-9-2-10-25-45)43-56(58)47-28-13-4-14-29-47)59-37-21-36-54-61(49-32-17-6-18-33-49)60(48-30-15-5-16-31-48)52-34-19-20-35-53(52)62(54)59/h1-43H.
What are the key properties of N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine?
N,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-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,N-bis(2,4-diphenylphenyl)-9,10-diphenylphenanthren-4-amine is sourced from PubChem (CID 169062280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).