9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole

C42H32N2S — CID 146564321

IUPAC9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole
SMILESC1=CC2=C(CC1)N(c1ccccc1)C1=CC=C(c3ccc4c(c3)c3ccccc3n4C3CC=Cc4c3sc3ccccc43)CC12
InChIInChI=1S/C42H32N2S/c1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40/h1-6,8-16,18,20-24,26,34,40H,7,17,19,25H2
InChIKeyQWJZEEKSYAVOHY-UHFFFAOYSA-N
MW596.80 g/mol
LogP11.43
Rot. Bonds3

About 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole

9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole (PubChem CID 146564321) has the molecular formula C42H32N2S and a molecular weight of 596.80 g/mol. Its IUPAC name is 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole
PubChem CID146564321
Molecular FormulaC42H32N2S
Molecular Weight596.80 g/mol
Exact Mass596.23
IUPAC Name9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole
SMILESC1=CC2=C(CC1)N(c1ccccc1)C1=CC=C(c3ccc4c(c3)c3ccccc3n4C3CC=Cc4c3sc3ccccc43)CC12
InChIInChI=1S/C42H32N2S/c1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40/h1-6,8-16,18,20-24,26,34,40H,7,17,19,25H2
InChIKeyQWJZEEKSYAVOHY-UHFFFAOYSA-N
XLogP11.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.80
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[9-[2-(4,6-diphenyl-1,3,5-triazinan-2-yl)pyrimidin-4-yl]-4,4a,7,8-tetrahydrocarbazol-3-yl]-1,2-dihydrocarbazol-9-amine
CID 121420357
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)-4,4a-dihydrocarbazol-3-yl]carbazole
CID 156560409
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-4,4a-dihydrocarbazol-3-yl]carbazole
CID 142352978
3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163785527
6-dibenzothiophen-2-yl-9-methyl-1,2-dihydrocarbazole
CID 144578730
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866
1-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-6-triphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 147700149
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
(1Z,3E)-4-N-[3-carbazol-9-yl-5-(9-phenyl-4,4a-dihydrocarbazol-3-yl)phenyl]-4-N-(7,8-dihydronaphthalen-1-yl)penta-1,3-diene-1,4-diamine
CID 144888530
9-[3,5-bis([1]benzothiolo[3,2-b][1]benzothiol-2-yl)phenyl]-3-(9-phenyl-1,9a-dihydrocarbazol-2-yl)carbazole
CID 163939166
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
11-[2-(3-carbazol-9-ylphenyl)cyclohexa-1,3-dien-1-yl]-[1]benzothiolo[3,2-b]carbazole
CID 126695682

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole (CID 146564321) is 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole is C1=CC2=C(CC1)N(c1ccccc1)C1=CC=C(c3ccc4c(c3)c3ccccc3n4C3CC=Cc4c3sc3ccccc43)CC12.
What is the InChIKey of 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole?
The InChIKey is QWJZEEKSYAVOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N2S/c1-2-11-29(12-3-1)43-36-17-7-4-13-30(36)34-25-27(21-23-38(34)43)28-22-24-39-35(26-28)31-14-5-8-18-37(31)44(39)40-19-10-16-33-32-15-6-9-20-41(32)45-42(33)40/h1-6,8-16,18,20-24,26,34,40H,7,17,19,25H2.
What are the key properties of 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole?
9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole has a molecular weight of 596.80 g/mol, XLogP of 11.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dihydrodibenzothiophen-4-yl)-3-(9-phenyl-4,4a,7,8-tetrahydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 146564321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).