8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine

C30H22N2O — CID 130286894

IUPAC8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESCC1C=Cc2c(n(-c3ccc4oc5c(-c6ccccc6)cncc5c4c3)c3ccccc23)C1
InChIInChI=1S/C30H22N2O/c1-19-11-13-23-22-9-5-6-10-27(22)32(28(23)15-19)21-12-14-29-24(16-21)26-18-31-17-25(30(26)33-29)20-7-3-2-4-8-20/h2-14,16-19H,15H2,1H3
InChIKeyIEVCAGJHDZWBID-UHFFFAOYSA-N
MW426.52 g/mol
LogP7.80
Rot. Bonds2

About 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine

8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine (PubChem CID 130286894) has the molecular formula C30H22N2O and a molecular weight of 426.52 g/mol. Its IUPAC name is 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
PubChem CID130286894
Molecular FormulaC30H22N2O
Molecular Weight426.52 g/mol
Exact Mass426.17
IUPAC Name8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine
SMILESCC1C=Cc2c(n(-c3ccc4oc5c(-c6ccccc6)cncc5c4c3)c3ccccc23)C1
InChIInChI=1S/C30H22N2O/c1-19-11-13-23-22-9-5-6-10-27(22)32(28(23)15-19)21-12-14-29-24(16-21)26-18-31-17-25(30(26)33-29)20-7-3-2-4-8-20/h2-14,16-19H,15H2,1H3
InChIKeyIEVCAGJHDZWBID-UHFFFAOYSA-N
XLogP7.80
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2,8-diphenyldibenzofuran-4-yl)-1,2-dihydrocarbazole
CID 123271645
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
9-(6-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080693
2-carbazol-9-yl-9-[3-[4-(7-methyl-6,7-dihydrodibenzofuran-4-yl)phenyl]phenyl]carbazole
CID 163890697
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
N-[4-([1]benzofuro[3,2-c]pyridin-4-yl)phenyl]-4-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 170177089
5-(2,6-diphenylpyrimidin-4-yl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-1,2-dihydro-[1]benzofuro[2,3-a]carbazole
CID 126656553
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
(2R)-7-bromo-2-methyl-9-naphthalen-2-yl-1,2-dihydrocarbazole
CID 126739228
9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine (CID 130286894) is 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine is CC1C=Cc2c(n(-c3ccc4oc5c(-c6ccccc6)cncc5c4c3)c3ccccc23)C1.
What is the InChIKey of 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine?
The InChIKey is IEVCAGJHDZWBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O/c1-19-11-13-23-22-9-5-6-10-27(22)32(28(23)15-19)21-12-14-29-24(16-21)26-18-31-17-25(30(26)33-29)20-7-3-2-4-8-20/h2-14,16-19H,15H2,1H3.
What are the key properties of 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine?
8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine has a molecular weight of 426.52 g/mol, XLogP of 7.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1,2-dihydrocarbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 130286894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).