8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole

C50H31N3S — CID 165168817

IUPAC8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc3c3c4ccccc4sc32)cc1
InChIInChI=1S/C50H31N3S/c1-2-12-34(13-3-1)53-47-30-33(24-28-40(47)49-41-17-7-11-21-48(41)54-50(49)53)32-22-25-35(26-23-32)51-45-20-10-6-16-39(45)42-31-36(27-29-46(42)51)52-43-18-8-4-14-37(43)38-15-5-9-19-44(38)52/h1-31H
InChIKeyMVCVBCMBBSHSMY-UHFFFAOYSA-N
MW705.89 g/mol
LogP13.86
Rot. Bonds4

About 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole

8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole (PubChem CID 165168817) has the molecular formula C50H31N3S and a molecular weight of 705.89 g/mol. Its IUPAC name is 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole.

Molecular Properties

Compound Name8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole
PubChem CID165168817
Molecular FormulaC50H31N3S
Molecular Weight705.89 g/mol
Exact Mass705.22
IUPAC Name8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole
SMILESc1ccc(-n2c3cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc3c3c4ccccc4sc32)cc1
InChIInChI=1S/C50H31N3S/c1-2-12-34(13-3-1)53-47-30-33(24-28-40(47)49-41-17-7-11-21-48(41)54-50(49)53)32-22-25-35(26-23-32)51-45-20-10-6-16-39(45)42-31-36(27-29-46(42)51)52-43-18-8-4-14-37(43)38-15-5-9-19-44(38)52/h1-31H
InChIKeyMVCVBCMBBSHSMY-UHFFFAOYSA-N
XLogP13.86
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.89
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole with MolForge

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Related Compounds

6-phenyl-8-[4-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]indole
CID 166871512
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
3-(18-carbazol-9-yl-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)-6,9-diphenylcarbazole
CID 59147343
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 171414679

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole?
The IUPAC name of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole (CID 165168817) is 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole.
What is the SMILES notation for 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole?
The canonical SMILES for 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole is c1ccc(-n2c3cc(-c4ccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4)ccc3c3c4ccccc4sc32)cc1.
What is the InChIKey of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole?
The InChIKey is MVCVBCMBBSHSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3S/c1-2-12-34(13-3-1)53-47-30-33(24-28-40(47)49-41-17-7-11-21-48(41)54-50(49)53)32-22-25-35(26-23-32)51-45-20-10-6-16-39(45)42-31-36(27-29-46(42)51)52-43-18-8-4-14-37(43)38-15-5-9-19-44(38)52/h1-31H.
What are the key properties of 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole?
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole has a molecular weight of 705.89 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-[1]benzothiolo[2,3-b]indole is sourced from PubChem (CID 165168817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).