3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole

C64H40N4S — CID 177093517

IUPAC3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc(-c3ccc(-c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8-c5ccccc5)s3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C64H40N4S/c1-5-17-43(18-6-1)65-55-27-15-13-25-47(55)51-37-61-53(39-59(51)65)49-31-29-41(35-57(49)67(61)45-21-9-3-10-22-45)63-33-34-64(69-63)42-30-32-50-54-40-60-52(38-62(54)68(58(50)36-42)46-23-11-4-12-24-46)48-26-14-16-28-56(48)66(60)44-19-7-2-8-20-44/h1-40H
InChIKeyKEJPHUYUKRAMCH-UHFFFAOYSA-N
MW897.12 g/mol
LogP17.47
Rot. Bonds6

About 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole

3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 177093517) has the molecular formula C64H40N4S and a molecular weight of 897.12 g/mol. Its IUPAC name is 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID177093517
Molecular FormulaC64H40N4S
Molecular Weight897.12 g/mol
Exact Mass896.30
IUPAC Name3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc(-c3ccc(-c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8-c5ccccc5)s3)cc2n4-c2ccccc2)cc1
InChIInChI=1S/C64H40N4S/c1-5-17-43(18-6-1)65-55-27-15-13-25-47(55)51-37-61-53(39-59(51)65)49-31-29-41(35-57(49)67(61)45-21-9-3-10-22-45)63-33-34-64(69-63)42-30-32-50-54-40-60-52(38-62(54)68(58(50)36-42)46-23-11-4-12-24-46)48-26-14-16-28-56(48)66(60)44-19-7-2-8-20-44/h1-40H
InChIKeyKEJPHUYUKRAMCH-UHFFFAOYSA-N
XLogP17.47
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.12
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
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
5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
CID 130417409
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-(4-phenylphenyl)-3-[4-[5-[5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]carbazole
CID 177093533
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole (CID 177093517) is 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccc(-c3ccc(-c5ccc6c7cc8c(cc7n(-c7ccccc7)c6c5)c5ccccc5n8-c5ccccc5)s3)cc2n4-c2ccccc2)cc1.
What is the InChIKey of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is KEJPHUYUKRAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4S/c1-5-17-43(18-6-1)65-55-27-15-13-25-47(55)51-37-61-53(39-59(51)65)49-31-29-41(35-57(49)67(61)45-21-9-3-10-22-45)63-33-34-64(69-63)42-30-32-50-54-40-60-52(38-62(54)68(58(50)36-42)46-23-11-4-12-24-46)48-26-14-16-28-56(48)66(60)44-19-7-2-8-20-44/h1-40H.
What are the key properties of 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 897.12 g/mol, XLogP of 17.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5,11-diphenylindolo[3,2-b]carbazol-3-yl)thiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 177093517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).