9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine

C66H47N3 — CID 118410903

IUPAC9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C66H47N3/c1-6-18-48(19-7-1)52-32-40-57(41-33-52)67(58-42-34-53(35-43-58)49-20-8-2-9-21-49)63-30-16-28-61-62-29-17-31-64(66(62)69(65(61)63)56-26-14-5-15-27-56)68(59-44-36-54(37-45-59)50-22-10-3-11-23-50)60-46-38-55(39-47-60)51-24-12-4-13-25-51/h1-47H
InChIKeyNTHTXTGLIRMTIV-UHFFFAOYSA-N
MW882.12 g/mol
LogP18.39
Rot. Bonds11

About 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine

9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine (PubChem CID 118410903) has the molecular formula C66H47N3 and a molecular weight of 882.12 g/mol. Its IUPAC name is 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine.

Molecular Properties

Compound Name9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
PubChem CID118410903
Molecular FormulaC66H47N3
Molecular Weight882.12 g/mol
Exact Mass881.38
IUPAC Name9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C66H47N3/c1-6-18-48(19-7-1)52-32-40-57(41-33-52)67(58-42-34-53(35-43-58)49-20-8-2-9-21-49)63-30-16-28-61-62-29-17-31-64(66(62)69(65(61)63)56-26-14-5-15-27-56)68(59-44-36-54(37-45-59)50-22-10-3-11-23-50)60-46-38-55(39-47-60)51-24-12-4-13-25-51/h1-47H
InChIKeyNTHTXTGLIRMTIV-UHFFFAOYSA-N
XLogP18.39
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.12
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-(4-naphthalen-2-ylphenyl)-N,11-diphenylbenzo[a]carbazol-10-amine
CID 139571824
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
N-[4-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 168809019
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine
CID 155004375
N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-8-amine;N,N-diphenyl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine;N,N,11-triphenylbenzo[a]carbazol-10-amine
CID 164979626
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 170666339
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine?
The IUPAC name of 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine (CID 118410903) is 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine.
What is the SMILES notation for 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine?
The canonical SMILES for 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)c5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine?
The InChIKey is NTHTXTGLIRMTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3/c1-6-18-48(19-7-1)52-32-40-57(41-33-52)67(58-42-34-53(35-43-58)49-20-8-2-9-21-49)63-30-16-28-61-62-29-17-31-64(66(62)69(65(61)63)56-26-14-5-15-27-56)68(59-44-36-54(37-45-59)50-22-10-3-11-23-50)60-46-38-55(39-47-60)51-24-12-4-13-25-51/h1-47H.
What are the key properties of 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine?
9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine has a molecular weight of 882.12 g/mol, XLogP of 18.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-N,1-N,8-N,8-N-tetrakis(4-phenylphenyl)carbazole-1,8-diamine is sourced from PubChem (CID 118410903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).