3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine

C59H47N5 — CID 144761575

IUPAC3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
SMILESCCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5C)c5ccccc5n6CC)ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C59H47N5/c1-4-60-53-27-17-15-25-47(53)49-37-44(29-32-55(49)60)62(41-19-9-6-10-20-41)45-30-33-56-50(38-45)51-39-46(31-34-57(51)64(56)43-23-13-8-14-24-43)63(42-21-11-7-12-22-42)52-35-36-58-59(40(52)3)48-26-16-18-28-54(48)61(58)5-2/h6-39H,4-5H2,1-3H3
InChIKeyIHSBTHLFJULQNY-UHFFFAOYSA-N
MW826.06 g/mol
LogP16.29
Rot. Bonds9

About 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine

3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine (PubChem CID 144761575) has the molecular formula C59H47N5 and a molecular weight of 826.06 g/mol. Its IUPAC name is 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine.

Molecular Properties

Compound Name3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
PubChem CID144761575
Molecular FormulaC59H47N5
Molecular Weight826.06 g/mol
Exact Mass825.38
IUPAC Name3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
SMILESCCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5C)c5ccccc5n6CC)ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C59H47N5/c1-4-60-53-27-17-15-25-47(53)49-37-44(29-32-55(49)60)62(41-19-9-6-10-20-41)45-30-33-56-50(38-45)51-39-46(31-34-57(51)64(56)43-23-13-8-14-24-43)63(42-21-11-7-12-22-42)52-35-36-58-59(40(52)3)48-26-16-18-28-54(48)61(58)5-2/h6-39H,4-5H2,1-3H3
InChIKeyIHSBTHLFJULQNY-UHFFFAOYSA-N
XLogP16.29
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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-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
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 59844234
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine
CID 163999771
1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
CID 162473597

Frequently Asked Questions

What is the IUPAC name of 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine?
The IUPAC name of 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine (CID 144761575) is 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine.
What is the SMILES notation for 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine?
The canonical SMILES for 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine is CCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc6c(c5C)c5ccccc5n6CC)ccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine?
The InChIKey is IHSBTHLFJULQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N5/c1-4-60-53-27-17-15-25-47(53)49-37-44(29-32-55(49)60)62(41-19-9-6-10-20-41)45-30-33-56-50(38-45)51-39-46(31-34-57(51)64(56)43-23-13-8-14-24-43)63(42-21-11-7-12-22-42)52-35-36-58-59(40(52)3)48-26-16-18-28-54(48)61(58)5-2/h6-39H,4-5H2,1-3H3.
What are the key properties of 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine?
3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine has a molecular weight of 826.06 g/mol, XLogP of 16.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9-ethylcarbazol-3-yl)-6-N-(9-ethyl-4-methylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine is sourced from PubChem (CID 144761575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).