N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine

C68H47N — CID 169064228

IUPACN-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C68H47N/c1-7-22-48(23-8-1)55-44-56(49-24-9-2-10-25-49)46-59(45-55)69(57-40-38-51(39-41-57)61-37-21-36-60(50-26-11-3-12-27-50)66(61)52-28-13-4-14-29-52)58-42-43-64-65(47-58)62-34-19-20-35-63(62)67(53-30-15-5-16-31-53)68(64)54-32-17-6-18-33-54/h1-47H
InChIKeyKBMFHNLGNWEEBP-UHFFFAOYSA-N
MW878.13 g/mol
LogP19.13
Rot. Bonds10

About N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine

N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine (PubChem CID 169064228) has the molecular formula C68H47N and a molecular weight of 878.13 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
PubChem CID169064228
Molecular FormulaC68H47N
Molecular Weight878.13 g/mol
Exact Mass877.37
IUPAC NameN-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C68H47N/c1-7-22-48(23-8-1)55-44-56(49-24-9-2-10-25-49)46-59(45-55)69(57-40-38-51(39-41-57)61-37-21-36-60(50-26-11-3-12-27-50)66(61)52-28-13-4-14-29-52)58-42-43-64-65(47-58)62-34-19-20-35-63(62)67(53-30-15-5-16-31-53)68(64)54-32-17-6-18-33-54/h1-47H
InChIKeyKBMFHNLGNWEEBP-UHFFFAOYSA-N
XLogP19.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.13
LogP ≤ 519.13
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-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 169063848
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169062227
N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,3-diphenylphenyl)phenyl]-3-phenylaniline
CID 169064542
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
CID 169063647
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-3,5-diphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169064457
3-(10-phenylphenanthren-9-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134453682
N-[4-(9,10-diphenylphenanthren-4-yl)phenyl]-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 169061750
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,3,5-triphenylaniline
CID 169063469
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-3,5-diphenylaniline
CID 169063744
3-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 155304955
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062420

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine (CID 169064228) is N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc(-c5ccccc5)c4-c4ccccc4)cc3)c3ccc4c(-c5ccccc5)c(-c5ccccc5)c5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine?
The InChIKey is KBMFHNLGNWEEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N/c1-7-22-48(23-8-1)55-44-56(49-24-9-2-10-25-49)46-59(45-55)69(57-40-38-51(39-41-57)61-37-21-36-60(50-26-11-3-12-27-50)66(61)52-28-13-4-14-29-52)58-42-43-64-65(47-58)62-34-19-20-35-63(62)67(53-30-15-5-16-31-53)68(64)54-32-17-6-18-33-54/h1-47H.
What are the key properties of N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine?
N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine has a molecular weight of 878.13 g/mol, XLogP of 19.13, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenylphenanthren-3-amine is sourced from PubChem (CID 169064228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).