5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole

C48H29N3S — CID 168744298

IUPAC5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cccc7c6sc6ccccc67)c54)cc32)cc1
InChIInChI=1S/C48H29N3S/c1-2-13-30(14-3-1)49-39-20-8-4-15-32(39)34-26-25-31(29-44(34)49)50-40-21-9-5-16-33(40)36-27-28-42-46(47(36)50)38-18-6-10-22-41(38)51(42)43-23-12-19-37-35-17-7-11-24-45(35)52-48(37)43/h1-29H
InChIKeyJTNYQKSGABWMLJ-UHFFFAOYSA-N
MW679.85 g/mol
LogP13.35
Rot. Bonds3

About 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole

5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole (PubChem CID 168744298) has the molecular formula C48H29N3S and a molecular weight of 679.85 g/mol. Its IUPAC name is 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
PubChem CID168744298
Molecular FormulaC48H29N3S
Molecular Weight679.85 g/mol
Exact Mass679.21
IUPAC Name5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cccc7c6sc6ccccc67)c54)cc32)cc1
InChIInChI=1S/C48H29N3S/c1-2-13-30(14-3-1)49-39-20-8-4-15-32(39)34-26-25-31(29-44(34)49)50-40-21-9-5-16-33(40)36-27-28-42-46(47(36)50)38-18-6-10-22-41(38)51(42)43-23-12-19-37-35-17-7-11-24-45(35)52-48(37)43/h1-29H
InChIKeyJTNYQKSGABWMLJ-UHFFFAOYSA-N
XLogP13.35
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.85
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-dibenzofuran-3-yl-5-phenylindolo[3,2-c]carbazole;12-dibenzothiophen-4-yl-5-phenylindolo[3,2-c]carbazole
CID 164963553
5-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-c]carbazole
CID 170393989
12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
5-(8-butyldibenzothiophen-4-yl)-12-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 170177004
5-dibenzothiophen-4-yl-7-phenylindolo[2,3-b]carbazole
CID 90225193
3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658946
5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
22-dibenzothiophen-4-yl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 122465489
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
2,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-carbazol-9-ylphenyl)carbazol-2-yl]-9-phenylcarbazole;3-(9-dibenzothiophen-2-ylcarbazol-2-yl)-9-phenylcarbazole;3-(9-dibenzothiophen-4-ylcarbazol-2-yl)-9-phenylcarbazole
CID 158637299
5-(9-naphthalen-2-ylcarbazol-4-yl)-12-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 165021173

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole (CID 168744298) is 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6cccc7c6sc6ccccc67)c54)cc32)cc1.
What is the InChIKey of 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole?
The InChIKey is JTNYQKSGABWMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S/c1-2-13-30(14-3-1)49-39-20-8-4-15-32(39)34-26-25-31(29-44(34)49)50-40-21-9-5-16-33(40)36-27-28-42-46(47(36)50)38-18-6-10-22-41(38)51(42)43-23-12-19-37-35-17-7-11-24-45(35)52-48(37)43/h1-29H.
What are the key properties of 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole?
5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole has a molecular weight of 679.85 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 168744298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).