7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole

C48H28N2S2 — CID 134223431

IUPAC7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c4)sc4ccccc47)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C48H28N2S2/c1-3-11-31(12-4-1)49-41-22-20-29(23-36(41)38-26-40-35-16-8-10-18-46(35)52-48(40)28-44(38)49)30-19-21-33-37-25-39-34-15-7-9-17-45(34)51-47(39)27-43(37)50(42(33)24-30)32-13-5-2-6-14-32/h1-28H
InChIKeyUJQVKROTDXONLW-UHFFFAOYSA-N
MW696.90 g/mol
LogP14.28
Rot. Bonds3

About 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole

7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole (PubChem CID 134223431) has the molecular formula C48H28N2S2 and a molecular weight of 696.90 g/mol. Its IUPAC name is 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
PubChem CID134223431
Molecular FormulaC48H28N2S2
Molecular Weight696.90 g/mol
Exact Mass696.17
IUPAC Name7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c4)sc4ccccc47)cc3c3cc4c(cc32)sc2ccccc24)cc1
InChIInChI=1S/C48H28N2S2/c1-3-11-31(12-4-1)49-41-22-20-29(23-36(41)38-26-40-35-16-8-10-18-46(35)52-48(40)28-44(38)49)30-19-21-33-37-25-39-34-15-7-9-17-45(34)51-47(39)27-43(37)50(42(33)24-30)32-13-5-2-6-14-32/h1-28H
InChIKeyUJQVKROTDXONLW-UHFFFAOYSA-N
XLogP14.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole with MolForge

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Related Compounds

10-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223312
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
3-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009509
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-9-phenylcarbazole
CID 163575771
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
10-dibenzothiophen-2-yl-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324812
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole (CID 134223431) is 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc5c6cc7c(cc6n(-c6ccccc6)c5c4)sc4ccccc47)cc3c3cc4c(cc32)sc2ccccc24)cc1.
What is the InChIKey of 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is UJQVKROTDXONLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2S2/c1-3-11-31(12-4-1)49-41-22-20-29(23-36(41)38-26-40-35-16-8-10-18-46(35)52-48(40)28-44(38)49)30-19-21-33-37-25-39-34-15-7-9-17-45(34)51-47(39)27-43(37)50(42(33)24-30)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole?
7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 696.90 g/mol, XLogP of 14.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-9-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-10-yl)-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 134223431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).