2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine

C39H28N4S — CID 59844176

IUPAC2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine
SMILESc1ccc(N(c2ccccc2)c2cnc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)s2)cc1
InChIInChI=1S/C39H28N4S/c1-5-15-29(16-6-1)41(30-17-7-2-8-18-30)38-28-40-39(44-38)42(31-19-9-3-10-20-31)33-25-26-37-35(27-33)34-23-13-14-24-36(34)43(37)32-21-11-4-12-22-32/h1-28H
InChIKeyFHJLLAJOGSONCA-UHFFFAOYSA-N
MW584.75 g/mol
LogP11.18
Rot. Bonds7

About 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine

2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine (PubChem CID 59844176) has the molecular formula C39H28N4S and a molecular weight of 584.75 g/mol. Its IUPAC name is 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine
PubChem CID59844176
Molecular FormulaC39H28N4S
Molecular Weight584.75 g/mol
Exact Mass584.20
IUPAC Name2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine
SMILESc1ccc(N(c2ccccc2)c2cnc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)s2)cc1
InChIInChI=1S/C39H28N4S/c1-5-15-29(16-6-1)41(30-17-7-2-8-18-30)38-28-40-39(44-38)42(31-19-9-3-10-20-31)33-25-26-37-35(27-33)34-23-13-14-24-36(34)43(37)32-21-11-4-12-22-32/h1-28H
InChIKeyFHJLLAJOGSONCA-UHFFFAOYSA-N
XLogP11.18
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.75
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
9-phenyl-N-(4-phenylphenyl)-N-(5-phenylpyrimidin-2-yl)carbazol-3-amine
CID 155139579
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
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
N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 163795809

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine (CID 59844176) is 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine is c1ccc(N(c2ccccc2)c2cnc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)s2)cc1.
What is the InChIKey of 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is FHJLLAJOGSONCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N4S/c1-5-15-29(16-6-1)41(30-17-7-2-8-18-30)38-28-40-39(44-38)42(31-19-9-3-10-20-31)33-25-26-37-35(27-33)34-23-13-14-24-36(34)43(37)32-21-11-4-12-22-32/h1-28H.
What are the key properties of 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine?
2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 584.75 g/mol, XLogP of 11.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N,5-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 59844176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).