3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole

C31H23NO — CID 118927953

IUPAC3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(C3=CC4c5ccccc5OC4C=C3)ccc1n2-c1ccccc1
InChIInChI=1S/C31H23NO/c1-20-11-14-28-25(17-20)26-18-21(12-15-29(26)32(28)23-7-3-2-4-8-23)22-13-16-31-27(19-22)24-9-5-6-10-30(24)33-31/h2-19,27,31H,1H3
InChIKeySQWBXUBVGNLCBA-UHFFFAOYSA-N
MW425.53 g/mol
LogP7.59
Rot. Bonds2

About 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole

3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole (PubChem CID 118927953) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole.

Molecular Properties

Compound Name3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole
PubChem CID118927953
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole
SMILESCc1ccc2c(c1)c1cc(C3=CC4c5ccccc5OC4C=C3)ccc1n2-c1ccccc1
InChIInChI=1S/C31H23NO/c1-20-11-14-28-25(17-20)26-18-21(12-15-29(26)32(28)23-7-3-2-4-8-23)22-13-16-31-27(19-22)24-9-5-6-10-30(24)33-31/h2-19,27,31H,1H3
InChIKeySQWBXUBVGNLCBA-UHFFFAOYSA-N
XLogP7.59
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4a,9b-dihydrodibenzofuran-2-yl)-2-carbazol-9-yl-7,10-diphenylindolo[2,3-b]carbazole
CID 71234625
4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)-5a,9a-dihydrodibenzofuran-2-yl]-4a,9b-dihydro-[1]benzofuro[3,2-d]pyrimidine
CID 167047587
3-methyl-9-(8-methyl-4a,9b-dihydrodibenzofuran-2-yl)carbazole
CID 138722958
2-(4a,9b-dihydrodibenzofuran-2-yl)-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298421
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 145108624
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182

Frequently Asked Questions

What is the IUPAC name of 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole?
The IUPAC name of 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole (CID 118927953) is 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole.
What is the SMILES notation for 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole?
The canonical SMILES for 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole is Cc1ccc2c(c1)c1cc(C3=CC4c5ccccc5OC4C=C3)ccc1n2-c1ccccc1.
What is the InChIKey of 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole?
The InChIKey is SQWBXUBVGNLCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-20-11-14-28-25(17-20)26-18-21(12-15-29(26)32(28)23-7-3-2-4-8-23)22-13-16-31-27(19-22)24-9-5-6-10-30(24)33-31/h2-19,27,31H,1H3.
What are the key properties of 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole?
3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole has a molecular weight of 425.53 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4a,9b-dihydrodibenzofuran-2-yl)-6-methyl-9-phenylcarbazole is sourced from PubChem (CID 118927953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).