3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine

C89H54ClN7S2 — CID 160676870

IUPAC3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine
SMILESClc1nc2sc3ccccc3c2nc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5c(nc4-n4c6ccccc6c6cc7ccccc7cc64)sc4ccccc45)cc32)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
InChIInChI=1S/C44H26N4S.C28H16ClN3S.C17H12/c1-2-14-30(15-3-1)47-36-19-9-6-16-31(36)33-23-22-29(26-38(33)47)41-43(46-44-42(45-41)34-18-8-11-21-40(34)49-44)48-37-20-10-7-17-32(37)35-24-27-12-4-5-13-28(27)25-39(35)48;29-27-25(30-26-21-11-5-7-13-24(21)33-28(26)31-27)17-14-15-20-19-10-4-6-12-22(19)32(23(20)16-17)18-8-2-1-3-9-18;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-26H;1-16H;1-9,11H,10H2
InChIKeyRNQKBWHZKTVUPR-UHFFFAOYSA-N
MW1321.05 g/mol
LogP24.53
Rot. Bonds5

About 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine

3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 160676870) has the molecular formula C89H54ClN7S2 and a molecular weight of 1321.05 g/mol. Its IUPAC name is 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine
PubChem CID160676870
Molecular FormulaC89H54ClN7S2
Molecular Weight1321.05 g/mol
Exact Mass1319.36
IUPAC Name3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine
SMILESClc1nc2sc3ccccc3c2nc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5c(nc4-n4c6ccccc6c6cc7ccccc7cc64)sc4ccccc45)cc32)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2
InChIInChI=1S/C44H26N4S.C28H16ClN3S.C17H12/c1-2-14-30(15-3-1)47-36-19-9-6-16-31(36)33-23-22-29(26-38(33)47)41-43(46-44-42(45-41)34-18-8-11-21-40(34)49-44)48-37-20-10-7-17-32(37)35-24-27-12-4-5-13-28(27)25-39(35)48;29-27-25(30-26-21-11-5-7-13-24(21)33-28(26)31-27)17-14-15-20-19-10-4-6-12-22(19)32(23(20)16-17)18-8-2-1-3-9-18;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-26H;1-16H;1-9,11H,10H2
InChIKeyRNQKBWHZKTVUPR-UHFFFAOYSA-N
XLogP24.53
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001321.05
LogP ≤ 524.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine 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-benzo[b]carbazol-5-yl-3-(4-isocyanophenyl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;2-chloro-3-(4-isocyanophenyl)-[1]benzothiolo[2,3-b]pyrazine
CID 158438282
3-benzo[b]carbazol-5-yl-2-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391929
4-benzo[b]carbazol-5-yl-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine;11H-benzo[b]fluorene;4-chloro-2-dibenzothiophen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 157427800
3-benzo[b]carbazol-5-yl-2,7-diphenyl-[1]benzothiolo[2,3-b]pyrazine
CID 137433490
2-benzo[b]carbazol-5-yl-3-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391659
2-benzo[b]carbazol-5-yl-3-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 149083307
2-benzo[b]carbazol-5-yl-3-phenanthren-3-yl-[1]benzothiolo[2,3-b]pyrazine
CID 146181623
2-benzo[b]carbazol-5-yl-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391616
5-[6,7-diphenyl-3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 139361945
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-b]pyrazine;2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-3-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;13-[2-(9-phenylcarbazol-2-yl)benzo[f]quinoxalin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 163586127
3-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]pyrazine
CID 146391949
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600

Frequently Asked Questions

What is the IUPAC name of 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine (CID 160676870) is 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine is Clc1nc2sc3ccccc3c2nc1-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.c1ccc(-n2c3ccccc3c3ccc(-c4nc5c(nc4-n4c6ccccc6c6cc7ccccc7cc64)sc4ccccc45)cc32)cc1.c1ccc2c(c1)Cc1cc3ccccc3cc1-2.
What is the InChIKey of 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is RNQKBWHZKTVUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4S.C28H16ClN3S.C17H12/c1-2-14-30(15-3-1)47-36-19-9-6-16-31(36)33-23-22-29(26-38(33)47)41-43(46-44-42(45-41)34-18-8-11-21-40(34)49-44)48-37-20-10-7-17-32(37)35-24-27-12-4-5-13-28(27)25-39(35)48;29-27-25(30-26-21-11-5-7-13-24(21)33-28(26)31-27)17-14-15-20-19-10-4-6-12-22(19)32(23(20)16-17)18-8-2-1-3-9-18;1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-26H;1-16H;1-9,11H,10H2.
What are the key properties of 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine?
3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine has a molecular weight of 1321.05 g/mol, XLogP of 24.53, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[b]carbazol-5-yl-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine;11H-benzo[b]fluorene;3-chloro-2-(9-phenylcarbazol-2-yl)-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 160676870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).