6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole

C39H35NO — CID 126598409

IUPAC6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole
SMILESCC1(C)c2cc3[nH]c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C39H35NO/c1-37(2)31-21-30-29-20-25(18-19-33(29)40-34(30)22-32(31)38(3,4)39(37,5)6)23-14-16-24(17-15-23)26-11-9-12-28-27-10-7-8-13-35(27)41-36(26)28/h7-22,40H,1-6H3
InChIKeyIAWHJFVBPUSXRK-UHFFFAOYSA-N
MW533.72 g/mol
LogP11.15
Rot. Bonds2

About 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole

6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole (PubChem CID 126598409) has the molecular formula C39H35NO and a molecular weight of 533.72 g/mol. Its IUPAC name is 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole.

Molecular Properties

Compound Name6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole
PubChem CID126598409
Molecular FormulaC39H35NO
Molecular Weight533.72 g/mol
Exact Mass533.27
IUPAC Name6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole
SMILESCC1(C)c2cc3[nH]c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4c3cc2C(C)(C)C1(C)C
InChIInChI=1S/C39H35NO/c1-37(2)31-21-30-29-20-25(18-19-33(29)40-34(30)22-32(31)38(3,4)39(37,5)6)23-14-16-24(17-15-23)26-11-9-12-28-27-10-7-8-13-35(27)41-36(26)28/h7-22,40H,1-6H3
InChIKeyIAWHJFVBPUSXRK-UHFFFAOYSA-N
XLogP11.15
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 511.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-dibenzofuran-4-yl-6-(4-phenylphenyl)-9H-carbazole
CID 66800210
N-[4-(9H-carbazol-3-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 162082223
2-(4-dibenzofuran-4-ylphenyl)-6,6,7,7,8,8,12,12,16,16,17,17,18,18-tetradecamethyl-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene
CID 126598367
2-dibenzofuran-4-yl-4-[1,1,2,2,3,3-hexamethyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]inden-5-yl]-6-phenyl-1,3,5-triazine
CID 170567750
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzofuran-4-amine
CID 126702918
3-dibenzofuran-4-yl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-9H-carbazole
CID 66800160
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
8-dibenzofuran-4-yl-11H-indeno[2,1-a]carbazol-12-one
CID 118331888
2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
CID 174178018

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole?
The IUPAC name of 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole (CID 126598409) is 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole.
What is the SMILES notation for 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole?
The canonical SMILES for 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole is CC1(C)c2cc3[nH]c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4c3cc2C(C)(C)C1(C)C.
What is the InChIKey of 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole?
The InChIKey is IAWHJFVBPUSXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35NO/c1-37(2)31-21-30-29-20-25(18-19-33(29)40-34(30)22-32(31)38(3,4)39(37,5)6)23-14-16-24(17-15-23)26-11-9-12-28-27-10-7-8-13-35(27)41-36(26)28/h7-22,40H,1-6H3.
What are the key properties of 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole?
6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole has a molecular weight of 533.72 g/mol, XLogP of 11.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzofuran-4-ylphenyl)-1,1,2,2,3,3-hexamethyl-9H-cyclopenta[b]carbazole is sourced from PubChem (CID 126598409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).