9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole

C46H30N2S3 — CID 134392036

IUPAC9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)sc4cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8C)s6)ccc45)s3)ccc21
InChIInChI=1S/C46H30N2S3/c1-47-37-9-5-3-7-31(37)35-23-27(13-17-39(35)47)41-19-21-43(49-41)29-11-15-33-34-16-12-30(26-46(34)51-45(33)25-29)44-22-20-42(50-44)28-14-18-40-36(24-28)32-8-4-6-10-38(32)48(40)2/h3-26H,1-2H3
InChIKeyVVXZRIAPBUAIHL-UHFFFAOYSA-N
MW706.96 g/mol
LogP14.14
Rot. Bonds4

About 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole

9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole (PubChem CID 134392036) has the molecular formula C46H30N2S3 and a molecular weight of 706.96 g/mol. Its IUPAC name is 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
PubChem CID134392036
Molecular FormulaC46H30N2S3
Molecular Weight706.96 g/mol
Exact Mass706.16
IUPAC Name9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)sc4cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8C)s6)ccc45)s3)ccc21
InChIInChI=1S/C46H30N2S3/c1-47-37-9-5-3-7-31(37)35-23-27(13-17-39(35)47)41-19-21-43(49-41)29-11-15-33-34-16-12-30(26-46(34)51-45(33)25-29)44-22-20-42(50-44)28-14-18-40-36(24-28)32-8-4-6-10-38(32)48(40)2/h3-26H,1-2H3
InChIKeyVVXZRIAPBUAIHL-UHFFFAOYSA-N
XLogP14.14
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.96
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-methyl-3-[5-[5-[2-(9-methylcarbazol-3-yl)thieno[3,2-b]thiophen-5-yl]thieno[3,2-b]thiophen-2-yl]thieno[3,2-b]thiophen-2-yl]carbazole
CID 134392065
11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027644
2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
3-phenyl-9-(7-phenyldibenzothiophen-3-yl)carbazole
CID 170279316
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
9-[3,5-di(carbazol-9-yl)phenyl]-3,6-bis(5-methylthiophen-2-yl)carbazole
CID 58960696
2,3-bis[5-(9-methylcarbazol-2-yl)thiophen-2-yl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 132543255
7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169027876

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole?
The IUPAC name of 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole (CID 134392036) is 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole?
The canonical SMILES for 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole is Cn1c2ccccc2c2cc(-c3ccc(-c4ccc5c(c4)sc4cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8C)s6)ccc45)s3)ccc21.
What is the InChIKey of 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole?
The InChIKey is VVXZRIAPBUAIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S3/c1-47-37-9-5-3-7-31(37)35-23-27(13-17-39(35)47)41-19-21-43(49-41)29-11-15-33-34-16-12-30(26-46(34)51-45(33)25-29)44-22-20-42(50-44)28-14-18-40-36(24-28)32-8-4-6-10-38(32)48(40)2/h3-26H,1-2H3.
What are the key properties of 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole?
9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole has a molecular weight of 706.96 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole is sourced from PubChem (CID 134392036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).