3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole

C42H25NO2 — CID 121449395

IUPAC3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc12
InChIInChI=1S/C42H25NO2/c1-4-13-37-31(8-1)35-24-27(28-19-23-41-36(25-28)33-10-3-5-14-39(33)44-41)18-22-38(35)43(37)29-20-16-26(17-21-29)30-11-7-12-34-32-9-2-6-15-40(32)45-42(30)34/h1-25H
InChIKeyAYRVOOKNPCGMHQ-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.92
Rot. Bonds3

About 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole

3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole (PubChem CID 121449395) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
PubChem CID121449395
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC Name3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc12
InChIInChI=1S/C42H25NO2/c1-4-13-37-31(8-1)35-24-27(28-19-23-41-36(25-28)33-10-3-5-14-39(33)44-41)18-22-38(35)43(37)29-20-16-26(17-21-29)30-11-7-12-34-32-9-2-6-15-40(32)45-42(30)34/h1-25H
InChIKeyAYRVOOKNPCGMHQ-UHFFFAOYSA-N
XLogP11.92
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
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-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
CID 134370621
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole (CID 121449395) is 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc12.
What is the InChIKey of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole?
The InChIKey is AYRVOOKNPCGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-4-13-37-31(8-1)35-24-27(28-19-23-41-36(25-28)33-10-3-5-14-39(33)44-41)18-22-38(35)43(37)29-20-16-26(17-21-29)30-11-7-12-34-32-9-2-6-15-40(32)45-42(30)34/h1-25H.
What are the key properties of 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole?
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole has a molecular weight of 575.67 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole is sourced from PubChem (CID 121449395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).