2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole

C45H29N3S — CID 118300821

IUPAC2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2cc(-c3ccccc3)ccc2n4-c2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C45H29N3S/c1-5-13-30(14-6-1)33-21-23-40-36(25-33)38-28-43-39(27-42(38)47(40)35-19-11-4-12-20-35)37-26-34(31-15-7-2-8-16-31)22-24-41(37)48(43)44-29-46-45(49-44)32-17-9-3-10-18-32/h1-29H
InChIKeyNCGZJZPOKCXUPI-UHFFFAOYSA-N
MW643.82 g/mol
LogP12.34
Rot. Bonds5

About 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole

2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole (PubChem CID 118300821) has the molecular formula C45H29N3S and a molecular weight of 643.82 g/mol. Its IUPAC name is 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole
PubChem CID118300821
Molecular FormulaC45H29N3S
Molecular Weight643.82 g/mol
Exact Mass643.21
IUPAC Name2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole
SMILESc1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2cc(-c3ccccc3)ccc2n4-c2cnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C45H29N3S/c1-5-13-30(14-6-1)33-21-23-40-36(25-33)38-28-43-39(27-42(38)47(40)35-19-11-4-12-20-35)37-26-34(31-15-7-2-8-16-31)22-24-41(37)48(43)44-29-46-45(49-44)32-17-9-3-10-18-32/h1-29H
InChIKeyNCGZJZPOKCXUPI-UHFFFAOYSA-N
XLogP12.34
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.82
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-5-[5-phenyl-3,9-di(pyrimidin-2-yl)indolo[3,2-c]carbazol-12-yl]-1,3-thiazole
CID 118300834
2-(4-carbazol-9-ylphenyl)-5-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3-thiazole;2-(3-carbazol-9-ylphenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)-1,3-thiazole;2-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)-1,3-thiazole
CID 162230367
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
2-phenyl-5-(11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole
CID 118300823
2-phenyl-5-(7-pyridin-3-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
CID 118300806
6-(7,9-diphenylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 121262585
9-phenyl-3-(3-phenylphenyl)-6-[4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 129054646
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
2-phenyl-5-(14-pyridin-4-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-1,3-thiazole;2-phenyl-5-(11-pyridin-4-ylindolo[2,3-a]carbazol-12-yl)-1,3-thiazole;2-phenyl-5-(7-pyridin-4-ylindolo[2,3-b]carbazol-5-yl)-1,3-thiazole
CID 158030519
5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-2-(3-pyrimidin-2-ylphenyl)-1,3-thiazole
CID 118300889

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole (CID 118300821) is 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole is c1ccc(-c2ccc3c(c2)c2cc4c(cc2n3-c2ccccc2)c2cc(-c3ccccc3)ccc2n4-c2cnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole?
The InChIKey is NCGZJZPOKCXUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3S/c1-5-13-30(14-6-1)33-21-23-40-36(25-33)38-28-43-39(27-42(38)47(40)35-19-11-4-12-20-35)37-26-34(31-15-7-2-8-16-31)22-24-41(37)48(43)44-29-46-45(49-44)32-17-9-3-10-18-32/h1-29H.
What are the key properties of 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole?
2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole has a molecular weight of 643.82 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(2,8,11-triphenylindolo[3,2-b]carbazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 118300821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).