2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole

C44H28N2S — CID 118315607

IUPAC2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5ccc6c(cc(-c7ccccc7)n6-c6ccccc6)c54)cccc23)cc1
InChIInChI=1S/C44H28N2S/c1-4-14-29(15-5-1)32-21-12-22-35-36-23-13-25-40(44(36)47-43(32)35)46-38-24-11-10-20-33(38)34-26-27-39-37(42(34)46)28-41(30-16-6-2-7-17-30)45(39)31-18-8-3-9-19-31/h1-28H
InChIKeySKIXCDUNRHNZBP-UHFFFAOYSA-N
MW616.79 g/mol
LogP12.43
Rot. Bonds4

About 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole

2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole (PubChem CID 118315607) has the molecular formula C44H28N2S and a molecular weight of 616.79 g/mol. Its IUPAC name is 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole
PubChem CID118315607
Molecular FormulaC44H28N2S
Molecular Weight616.79 g/mol
Exact Mass616.20
IUPAC Name2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5ccc6c(cc(-c7ccccc7)n6-c6ccccc6)c54)cccc23)cc1
InChIInChI=1S/C44H28N2S/c1-4-14-29(15-5-1)32-21-12-22-35-36-23-13-25-40(44(36)47-43(32)35)46-38-24-11-10-20-33(38)34-26-27-39-37(42(34)46)28-41(30-16-6-2-7-17-30)45(39)31-18-8-3-9-19-31/h1-28H
InChIKeySKIXCDUNRHNZBP-UHFFFAOYSA-N
XLogP12.43
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.79
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-12-(6-phenyldibenzothiophen-4-yl)indolo[3,2-c]carbazole
CID 126656177
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
3,6-di(carbazol-9-yl)-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]carbazole
CID 90211412
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
3-phenyl-9-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-b]carbazole
CID 118315209
15-phenyl-18-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-8,15,18-triazaheptacyclo[14.10.1.02,7.08,27.09,14.017,25.019,24]heptacosa-1(27),2,4,6,9,11,13,16,19,21,23,25-dodecaene
CID 163961771
10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315588
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
9-phenyl-3-[4-phenyl-6-[3-phenyl-5-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164736771

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole (CID 118315607) is 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole is c1ccc(-c2cccc3c2sc2c(-n4c5ccccc5c5ccc6c(cc(-c7ccccc7)n6-c6ccccc6)c54)cccc23)cc1.
What is the InChIKey of 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole?
The InChIKey is SKIXCDUNRHNZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S/c1-4-14-29(15-5-1)32-21-12-22-35-36-23-13-25-40(44(36)47-43(32)35)46-38-24-11-10-20-33(38)34-26-27-39-37(42(34)46)28-41(30-16-6-2-7-17-30)45(39)31-18-8-3-9-19-31/h1-28H.
What are the key properties of 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole?
2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole has a molecular weight of 616.79 g/mol, XLogP of 12.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-10-(6-phenyldibenzothiophen-4-yl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 118315607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).