10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole

C32H23NOS — CID 102302766

IUPAC10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole
SMILESCn1c2cc(-c3cccs3)ccc2c2cc3c(cc21)OC(c1ccccc1)(c1ccccc1)C=C3
InChIInChI=1S/C32H23NOS/c1-33-28-20-23(31-13-8-18-35-31)14-15-26(28)27-19-22-16-17-32(24-9-4-2-5-10-24,25-11-6-3-7-12-25)34-30(22)21-29(27)33/h2-21H,1H3
InChIKeyUMBFHLIRPHYGAN-UHFFFAOYSA-N
MW469.61 g/mol
LogP8.41
Rot. Bonds3

About 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole

10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole (PubChem CID 102302766) has the molecular formula C32H23NOS and a molecular weight of 469.61 g/mol. Its IUPAC name is 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole.

Molecular Properties

Compound Name10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole
PubChem CID102302766
Molecular FormulaC32H23NOS
Molecular Weight469.61 g/mol
Exact Mass469.15
IUPAC Name10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole
SMILESCn1c2cc(-c3cccs3)ccc2c2cc3c(cc21)OC(c1ccccc1)(c1ccccc1)C=C3
InChIInChI=1S/C32H23NOS/c1-33-28-20-23(31-13-8-18-35-31)14-15-26(28)27-19-22-16-17-32(24-9-4-2-5-10-24,25-11-6-3-7-12-25)34-30(22)21-29(27)33/h2-21H,1H3
InChIKeyUMBFHLIRPHYGAN-UHFFFAOYSA-N
XLogP8.41
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole
CID 24818819
2-(3,5-Dimethoxyphenyl)-1-methyl-5-(4-phenylmethoxyphenyl)-3-thiophen-2-ylindole
CID 44142658
Isupsl-YC-5-13
CID 44142425
(3R)-3,5,11-trimethyl-3-(4-methylpent-3-enyl)pyrano[3,2-a]carbazole
CID 73349044
5-(3-Fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)-1-methyl-3-(2-thiophen-3-ylethynyl)indole
CID 44142368
Isupsl-YC-4-82
CID 44142377
3-(1,3-Benzothiazol-2-ylmethyl)-10-methyl-2,4-dihydro-[1,3]oxazino[6,5-b]carbazole
CID 46702553
8-Tert-butyl-3,3,5-trimethyl-11-[(4-methylphenyl)methyl]pyrano[3,2-a]carbazole
CID 162661588
11-Benzyl-8-tert-butyl-3,3,5-trimethylpyrano[3,2-a]carbazole
CID 162672732
[(E)-[[11-(2-ethylhexyl)-5-(1-thiophen-2-ylethenyl)benzo[a]carbazol-8-yl]-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]methylidene]amino] acetate
CID 130327055
N-dibenzothiophen-3-yl-N-[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,3-dihydrodibenzofuran-4-amine
CID 168814586
3,3,5,11-Tetramethylpyrano[3,2-a]carbazole
CID 14191009

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole?
The IUPAC name of 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole (CID 102302766) is 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole.
What is the SMILES notation for 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole?
The canonical SMILES for 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole is Cn1c2cc(-c3cccs3)ccc2c2cc3c(cc21)OC(c1ccccc1)(c1ccccc1)C=C3.
What is the InChIKey of 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole?
The InChIKey is UMBFHLIRPHYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NOS/c1-33-28-20-23(31-13-8-18-35-31)14-15-26(28)27-19-22-16-17-32(24-9-4-2-5-10-24,25-11-6-3-7-12-25)34-30(22)21-29(27)33/h2-21H,1H3.
What are the key properties of 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole?
10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole has a molecular weight of 469.61 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,2-diphenyl-8-thiophen-2-ylpyrano[2,3-b]carbazole is sourced from PubChem (CID 102302766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).