N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine

C56H38N2 — CID 59844627

IUPACN,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-4-17-39(18-5-1)40-31-33-41(34-32-40)55-48-26-10-12-28-50(48)56(51-29-13-11-27-49(51)55)42-19-16-24-45(37-42)58-53-30-15-14-25-47(53)52-38-46(35-36-54(52)58)57(43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-38H
InChIKeyGVTHQUZFKQLWMT-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.56
Rot. Bonds7

About N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine

N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine (PubChem CID 59844627) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
PubChem CID59844627
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC NameN,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c4)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H38N2/c1-4-17-39(18-5-1)40-31-33-41(34-32-40)55-48-26-10-12-28-50(48)56(51-29-13-11-27-49(51)55)42-19-16-24-45(37-42)58-53-30-15-14-25-47(53)52-38-46(35-36-54(52)58)57(43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-38H
InChIKeyGVTHQUZFKQLWMT-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_2', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 160993422
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The IUPAC name of N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine (CID 59844627) is N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)c4)c4ccccc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The InChIKey is GVTHQUZFKQLWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-4-17-39(18-5-1)40-31-33-41(34-32-40)55-48-26-10-12-28-50(48)56(51-29-13-11-27-49(51)55)42-19-16-24-45(37-42)58-53-30-15-14-25-47(53)52-38-46(35-36-54(52)58)57(43-20-6-2-7-21-43)44-22-8-3-9-23-44/h1-38H.
What are the key properties of N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-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,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 59844627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).