11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole

C42H28N2S — CID 170287575

IUPAC11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2sc3cccc(-c4ccccc4)c3c2c1
InChIInChI=1S/C42H28N2S/c1-3-12-27(13-4-1)30-18-11-21-39-40(30)35-26-29(22-25-38(35)45-39)44-37-20-10-8-17-32(37)34-24-23-33-31-16-7-9-19-36(31)43(41(33)42(34)44)28-14-5-2-6-15-28/h1-26,33,41H
InChIKeyFIMDINQGYMXWNF-UHFFFAOYSA-N
MW592.77 g/mol
LogP11.67
Rot. Bonds3

About 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole

11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole (PubChem CID 170287575) has the molecular formula C42H28N2S and a molecular weight of 592.77 g/mol. Its IUPAC name is 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
PubChem CID170287575
Molecular FormulaC42H28N2S
Molecular Weight592.77 g/mol
Exact Mass592.20
IUPAC Name11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole
SMILESC1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2sc3cccc(-c4ccccc4)c3c2c1
InChIInChI=1S/C42H28N2S/c1-3-12-27(13-4-1)30-18-11-21-39-40(30)35-26-29(22-25-38(35)45-39)44-37-20-10-8-17-32(37)34-24-23-33-31-16-7-9-19-36(31)43(41(33)42(34)44)28-14-5-2-6-15-28/h1-26,33,41H
InChIKeyFIMDINQGYMXWNF-UHFFFAOYSA-N
XLogP11.67
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170279117
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 170277898
7-[7-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6a,11a-dihydroindolo[2,3-a]carbazol-12-yl]-9,9-dimethylfluoren-2-yl]-2-phenyl-1,3-benzoxazole
CID 174275456
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[3-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazol-11-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 87486905
9-(9-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170688535
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
12-[9-(6,7-dihydrodibenzofuran-1-yl)dibenzothiophen-2-yl]-6a,11a-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 170287540
N,N-diphenyl-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,12,14,16,19(24),20,22,25,27,29-tetradecaen-22-amine
CID 138494267
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
11-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-12-phenyl-6a,11a-dihydroindolo[2,3-a]carbazole
CID 134416527
9-dibenzothiophen-2-yl-3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylcarbazole
CID 170072891
9-[9-(4a,9b-dihydrodibenzofuran-4-yl)dibenzothiophen-2-yl]carbazole
CID 170278100

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole (CID 170287575) is 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccccc3N(c3ccccc3)C2c2c1c1ccccc1n2-c1ccc2sc3cccc(-c4ccccc4)c3c2c1.
What is the InChIKey of 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole?
The InChIKey is FIMDINQGYMXWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2S/c1-3-12-27(13-4-1)30-18-11-21-39-40(30)35-26-29(22-25-38(35)45-39)44-37-20-10-8-17-32(37)34-24-23-33-31-16-7-9-19-36(31)43(41(33)42(34)44)28-14-5-2-6-15-28/h1-26,33,41H.
What are the key properties of 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole?
11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole has a molecular weight of 592.77 g/mol, XLogP of 11.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-(9-phenyldibenzothiophen-2-yl)-6a,11a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 170287575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).