N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

C56H38N2 — CID 167003351

IUPACN-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-15-39(16-4-1)40-27-32-45(33-28-40)57(56-38-44-19-7-8-20-47(44)49-21-9-10-22-50(49)56)46-34-29-41(30-35-46)43-31-36-48(42-17-5-2-6-18-42)55(37-43)58-53-25-13-11-23-51(53)52-24-12-14-26-54(52)58/h1-38H
InChIKeyLRACTZLXBAWUEE-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine

N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 167003351) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
PubChem CID167003351
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-3-15-39(16-4-1)40-27-32-45(33-28-40)57(56-38-44-19-7-8-20-47(44)49-21-9-10-22-50(49)56)46-34-29-41(30-35-46)43-31-36-48(42-17-5-2-6-18-42)55(37-43)58-53-25-13-11-23-51(53)52-24-12-14-26-54(52)58/h1-38H
InChIKeyLRACTZLXBAWUEE-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 59470040
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)naphthalen-1-amine
CID 146580920
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167322579
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 156578695
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenanthren-9-yl)phenyl]phenanthren-9-amine
CID 163572862
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
N,N-bis(4-phenanthren-9-ylphenyl)phenanthren-9-amine;N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 161225629
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
N-(2,5-diphenylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 164529185
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 90128470
N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]phenanthren-9-amine;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-phenyl-N,N-bis[4-(5-phenylthiophen-2-yl)phenyl]aniline
CID 160673575

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine (CID 167003351) is N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)c4)cc3)c3cc4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is LRACTZLXBAWUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-3-15-39(16-4-1)40-27-32-45(33-28-40)57(56-38-44-19-7-8-20-47(44)49-21-9-10-22-50(49)56)46-34-29-41(30-35-46)43-31-36-48(42-17-5-2-6-18-42)55(37-43)58-53-25-13-11-23-51(53)52-24-12-14-26-54(52)58/h1-38H.
What are the key properties of N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine?
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 738.93 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 167003351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).