3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole

C43H29NO2 — CID 163549026

IUPAC3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole
SMILESCC1CC=C(c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccccc2)c2oc3ccccc3c21
InChIInChI=1S/C43H29NO2/c1-26-18-21-31(43-41(26)34-13-6-8-17-40(34)46-43)28-20-23-38-36(25-28)35-24-27(19-22-37(35)44(38)29-10-3-2-4-11-29)30-14-9-15-33-32-12-5-7-16-39(32)45-42(30)33/h2-17,19-26H,18H2,1H3
InChIKeyFHLSQSHRAOPGGP-UHFFFAOYSA-N
MW591.71 g/mol
LogP12.04
Rot. Bonds3

About 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole

3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole (PubChem CID 163549026) has the molecular formula C43H29NO2 and a molecular weight of 591.71 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole
PubChem CID163549026
Molecular FormulaC43H29NO2
Molecular Weight591.71 g/mol
Exact Mass591.22
IUPAC Name3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole
SMILESCC1CC=C(c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccccc2)c2oc3ccccc3c21
InChIInChI=1S/C43H29NO2/c1-26-18-21-31(43-41(26)34-13-6-8-17-40(34)46-43)28-20-23-38-36(25-28)35-24-27(19-22-37(35)44(38)29-10-3-2-4-11-29)30-14-9-15-33-32-12-5-7-16-39(32)45-42(30)33/h2-17,19-26H,18H2,1H3
InChIKeyFHLSQSHRAOPGGP-UHFFFAOYSA-N
XLogP12.04
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.71
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-dibenzofuran-4-yl-9-phenylcarbazole
CID 90089515
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-[4-(4-bromophenyl)phenyl]-3,6-di(dibenzofuran-4-yl)carbazole
CID 58536218
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
6-dibenzofuran-4-yl-1,3,9-triphenylcarbazole
CID 123910870
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3,6-di(dibenzofuran-4-yl)-9-(10-phenylanthracen-9-yl)carbazole
CID 87156847

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole?
The IUPAC name of 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole (CID 163549026) is 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole is CC1CC=C(c2ccc3c(c2)c2cc(-c4cccc5c4oc4ccccc45)ccc2n3-c2ccccc2)c2oc3ccccc3c21.
What is the InChIKey of 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole?
The InChIKey is FHLSQSHRAOPGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO2/c1-26-18-21-31(43-41(26)34-13-6-8-17-40(34)46-43)28-20-23-38-36(25-28)35-24-27(19-22-37(35)44(38)29-10-3-2-4-11-29)30-14-9-15-33-32-12-5-7-16-39(32)45-42(30)33/h2-17,19-26H,18H2,1H3.
What are the key properties of 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole?
3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole has a molecular weight of 591.71 g/mol, XLogP of 12.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-6-(1-methyl-1,2-dihydrodibenzofuran-4-yl)-9-phenylcarbazole is sourced from PubChem (CID 163549026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).