5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole

C42H26N2S — CID 126656177

IUPAC5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cccc23)cc1
InChIInChI=1S/C42H26N2S/c1-3-13-27(14-4-1)29-19-11-20-32-33-21-12-24-38(42(33)45-41(29)32)44-35-22-9-7-17-30(35)31-25-26-37-39(40(31)44)34-18-8-10-23-36(34)43(37)28-15-5-2-6-16-28/h1-26H
InChIKeyIUXCDHUUBBLONA-UHFFFAOYSA-N
MW590.75 g/mol
LogP11.92
Rot. Bonds3

About 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole

5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole (PubChem CID 126656177) has the molecular formula C42H26N2S and a molecular weight of 590.75 g/mol. Its IUPAC name is 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
PubChem CID126656177
Molecular FormulaC42H26N2S
Molecular Weight590.75 g/mol
Exact Mass590.18
IUPAC Name5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cccc23)cc1
InChIInChI=1S/C42H26N2S/c1-3-13-27(14-4-1)29-19-11-20-32-33-21-12-24-38(42(33)45-41(29)32)44-35-22-9-7-17-30(35)31-25-26-37-39(40(31)44)34-18-8-10-23-36(34)43(37)28-15-5-2-6-16-28/h1-26H
InChIKeyIUXCDHUUBBLONA-UHFFFAOYSA-N
XLogP11.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.75
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole
CID 118315607
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
5-phenyl-12-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 154590271
5-dibenzothiophen-4-yl-12-(9-phenylcarbazol-2-yl)indolo[3,2-c]carbazole
CID 168744298
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
12-dibenzothiophen-4-yl-5-(3,5-diphenylphenyl)indolo[3,2-c]carbazole
CID 171414814
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-5,12-diphenylindolo[3,2-c]carbazole
CID 122501672
12-phenyl-5-[5-phenyl-2-[9-(2-phenylphenyl)carbazol-4-yl]phenyl]indolo[3,2-c]carbazole
CID 176831437
12-(2-phenylphenyl)-5-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 176831298
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302
9-(4-dibenzothiophen-4-ylphenyl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 126580112

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole (CID 126656177) is 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole is c1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)cccc23)cc1.
What is the InChIKey of 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole?
The InChIKey is IUXCDHUUBBLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S/c1-3-13-27(14-4-1)29-19-11-20-32-33-21-12-24-38(42(33)45-41(29)32)44-35-22-9-7-17-30(35)31-25-26-37-39(40(31)44)34-18-8-10-23-36(34)43(37)28-15-5-2-6-16-28/h1-26H.
What are the key properties of 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole?
5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole has a molecular weight of 590.75 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 126656177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).