12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

C43H30N2O — CID 163666254

IUPAC12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC12C=CC=CC1c1ccccc1N2c1cccc(-c2ccccc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C43H30N2O/c1-43-26-11-10-19-36(43)35-18-4-8-22-39(35)45(43)29-14-12-13-28(27-29)30-15-2-6-20-37(30)44-38-21-7-3-16-31(38)33-24-25-34-32-17-5-9-23-40(32)46-42(34)41(33)44/h2-27,36H,1H3
InChIKeyIYSLEMGZAZYUIF-UHFFFAOYSA-N
MW590.73 g/mol
LogP11.47
Rot. Bonds3

About 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole

12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 163666254) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID163666254
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC12C=CC=CC1c1ccccc1N2c1cccc(-c2ccccc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C43H30N2O/c1-43-26-11-10-19-36(43)35-18-4-8-22-39(35)45(43)29-14-12-13-28(27-29)30-15-2-6-20-37(30)44-38-21-7-3-16-31(38)33-24-25-34-32-17-5-9-23-40(32)46-42(34)41(33)44/h2-27,36H,1H3
InChIKeyIYSLEMGZAZYUIF-UHFFFAOYSA-N
XLogP11.47
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
CID 147834025
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
9-[3-[(8aS)-8a-methyl-9-phenyl-4bH-carbazol-4-yl]phenyl]-2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 144785459
12-(3-triphenylen-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 122548581
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612099
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-[4-(9a-methyl-4aH-carbazol-9-yl)phenyl]-4-(2-carbazol-9-yl-4-cyanophenyl)benzonitrile
CID 155085660
9-[6-[3-[2-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163612002
12-[3-(6-phenylpyren-1-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 176780527
4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile
CID 138666198

Frequently Asked Questions

What is the IUPAC name of 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 163666254) is 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is CC12C=CC=CC1c1ccccc1N2c1cccc(-c2ccccc2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.
What is the InChIKey of 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is IYSLEMGZAZYUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-43-26-11-10-19-36(43)35-18-4-8-22-39(35)45(43)29-14-12-13-28(27-29)30-15-2-6-20-37(30)44-38-21-7-3-16-31(38)33-24-25-34-32-17-5-9-23-40(32)46-42(34)41(33)44/h2-27,36H,1H3.
What are the key properties of 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 590.73 g/mol, XLogP of 11.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163666254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).