3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole

C43H32N2S — CID 163785527

IUPAC3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESCC1C=Cc2c3c(n(-c4ccc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)c2C1)CCC=C3
InChIInChI=1S/C43H32N2S/c1-27-15-19-34-32-11-5-7-13-38(32)45(41(34)23-27)31-18-22-43-37(26-31)36-25-29(17-21-42(36)46-43)28-16-20-40-35(24-28)33-12-6-8-14-39(33)44(40)30-9-3-2-4-10-30/h2-6,8-12,14-22,24-27H,7,13,23H2,1H3
InChIKeyMSESQDFZMULVBC-UHFFFAOYSA-N
MW608.81 g/mol
LogP11.77
Rot. Bonds3

About 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole

3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 163785527) has the molecular formula C43H32N2S and a molecular weight of 608.81 g/mol. Its IUPAC name is 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID163785527
Molecular FormulaC43H32N2S
Molecular Weight608.81 g/mol
Exact Mass608.23
IUPAC Name3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESCC1C=Cc2c3c(n(-c4ccc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)c2C1)CCC=C3
InChIInChI=1S/C43H32N2S/c1-27-15-19-34-32-11-5-7-13-38(32)45(41(34)23-27)31-18-22-43-37(26-31)36-25-29(17-21-42(36)46-43)28-16-20-40-35(24-28)33-12-6-8-14-39(33)44(40)30-9-3-2-4-10-30/h2-6,8-12,14-22,24-27H,7,13,23H2,1H3
InChIKeyMSESQDFZMULVBC-UHFFFAOYSA-N
XLogP11.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.81
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[8-(1,2-dihydrocarbazol-9-yl)dibenzothiophen-2-yl]carbazole
CID 118698975
3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazole;ethane;methanethiol
CID 144644614
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-(9-phenylcarbazol-3-yl)-9-(18-phenyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)carbazole
CID 135171603
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
CID 144619443
CID 144619443
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571

Frequently Asked Questions

What is the IUPAC name of 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole (CID 163785527) is 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is CC1C=Cc2c3c(n(-c4ccc5sc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)c2C1)CCC=C3.
What is the InChIKey of 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is MSESQDFZMULVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2S/c1-27-15-19-34-32-11-5-7-13-38(32)45(41(34)23-27)31-18-22-43-37(26-31)36-25-29(17-21-42(36)46-43)28-16-20-40-35(24-28)33-12-6-8-14-39(33)44(40)30-9-3-2-4-10-30/h2-6,8-12,14-22,24-27H,7,13,23H2,1H3.
What are the key properties of 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole?
3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 608.81 g/mol, XLogP of 11.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 163785527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).