N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine

C112H76N4 — CID 157146529

IUPACN,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/2C56H38N2/c1-4-17-39(18-5-1)41-19-16-20-42(37-41)56-50-28-12-10-26-48(50)55(49-27-11-13-29-51(49)56)40-31-33-45(34-32-40)58-53-30-15-14-25-47(53)52-38-46(35-36-54(52)58)57(43-21-6-2-7-22-43)44-23-8-3-9-24-44;1-4-18-39(19-5-1)45-24-10-11-26-47(45)56-50-29-14-12-27-48(50)55(49-28-13-15-30-51(49)56)40-32-34-43(35-33-40)58-53-31-17-16-25-46(53)52-38-44(36-37-54(52)58)57(41-20-6-2-7-21-41)42-22-8-3-9-23-42/h2*1-38H
InChIKeyAKTORUAMKCQABR-UHFFFAOYSA-N
MW1477.87 g/mol
LogP31.12
Rot. Bonds14

About N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine

N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine (PubChem CID 157146529) has the molecular formula C112H76N4 and a molecular weight of 1477.87 g/mol. Its IUPAC name is N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
PubChem CID157146529
Molecular FormulaC112H76N4
Molecular Weight1477.87 g/mol
Exact Mass1476.61
IUPAC NameN,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/2C56H38N2/c1-4-17-39(18-5-1)41-19-16-20-42(37-41)56-50-28-12-10-26-48(50)55(49-27-11-13-29-51(49)56)40-31-33-45(34-32-40)58-53-30-15-14-25-47(53)52-38-46(35-36-54(52)58)57(43-21-6-2-7-22-43)44-23-8-3-9-24-44;1-4-18-39(19-5-1)45-24-10-11-26-47(45)56-50-29-14-12-27-48(50)55(49-28-13-15-30-51(49)56)40-32-34-43(35-33-40)58-53-31-17-16-25-46(53)52-38-44(36-37-54(52)58)57(41-20-6-2-7-21-41)42-22-8-3-9-23-42/h2*1-38H
InChIKeyAKTORUAMKCQABR-UHFFFAOYSA-N
XLogP31.12
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001477.87
LogP ≤ 531.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N,10-diphenylanthracen-9-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(2-phenylphenyl)anthracen-9-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(3-phenylphenyl)anthracen-9-amine;N-(4-carbazol-9-ylphenyl)-N-phenyl-10-(4-phenylphenyl)anthracen-9-amine
CID 159089879
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160771510
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-amine;N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-1-amine
CID 158598595
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The IUPAC name of N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine (CID 157146529) is N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine is c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The InChIKey is AKTORUAMKCQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H38N2/c1-4-17-39(18-5-1)41-19-16-20-42(37-41)56-50-28-12-10-26-48(50)55(49-27-11-13-29-51(49)56)40-31-33-45(34-32-40)58-53-30-15-14-25-47(53)52-38-46(35-36-54(52)58)57(43-21-6-2-7-22-43)44-23-8-3-9-24-44;1-4-18-39(19-5-1)45-24-10-11-26-47(45)56-50-29-14-12-27-48(50)55(49-28-13-15-30-51(49)56)40-32-34-43(35-33-40)58-53-31-17-16-25-46(53)52-38-44(36-37-54(52)58)57(41-20-6-2-7-21-41)42-22-8-3-9-23-42/h2*1-38H.
What are the key properties of N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine has a molecular weight of 1477.87 g/mol, XLogP of 31.12, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 157146529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).