3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole

C42H35NO — CID 134390545

IUPAC3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole
SMILESC1=CC(c2cc(C3CC=CCC3)cc(-n3c4ccccc4c4cc(C5=CC=C6Oc7ccccc7C6C5)ccc43)c2)=CCC1
InChIInChI=1S/C42H35NO/c1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)43-39-17-9-7-15-35(39)37-26-30(19-21-40(37)43)31-20-22-42-38(27-31)36-16-8-10-18-41(36)44-42/h1,3,5,7-10,13-26,28,38H,2,4,6,11-12,27H2
InChIKeyGLZGFSCKPCGHIC-UHFFFAOYSA-N
MW569.75 g/mol
LogP11.19
Rot. Bonds4

About 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole

3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole (PubChem CID 134390545) has the molecular formula C42H35NO and a molecular weight of 569.75 g/mol. Its IUPAC name is 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole.

Molecular Properties

Compound Name3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole
PubChem CID134390545
Molecular FormulaC42H35NO
Molecular Weight569.75 g/mol
Exact Mass569.27
IUPAC Name3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole
SMILESC1=CC(c2cc(C3CC=CCC3)cc(-n3c4ccccc4c4cc(C5=CC=C6Oc7ccccc7C6C5)ccc43)c2)=CCC1
InChIInChI=1S/C42H35NO/c1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)43-39-17-9-7-15-35(39)37-26-30(19-21-40(37)43)31-20-22-42-38(27-31)36-16-8-10-18-41(36)44-42/h1,3,5,7-10,13-26,28,38H,2,4,6,11-12,27H2
InChIKeyGLZGFSCKPCGHIC-UHFFFAOYSA-N
XLogP11.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole?
The IUPAC name of 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole (CID 134390545) is 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole.
What is the SMILES notation for 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole?
The canonical SMILES for 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole is C1=CC(c2cc(C3CC=CCC3)cc(-n3c4ccccc4c4cc(C5=CC=C6Oc7ccccc7C6C5)ccc43)c2)=CCC1.
What is the InChIKey of 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole?
The InChIKey is GLZGFSCKPCGHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35NO/c1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)43-39-17-9-7-15-35(39)37-26-30(19-21-40(37)43)31-20-22-42-38(27-31)36-16-8-10-18-41(36)44-42/h1,3,5,7-10,13-26,28,38H,2,4,6,11-12,27H2.
What are the key properties of 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole?
3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole has a molecular weight of 569.75 g/mol, XLogP of 11.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9b-dihydrodibenzofuran-2-yl)-9-(3-cyclohexa-1,5-dien-1-yl-5-cyclohex-3-en-1-ylphenyl)carbazole is sourced from PubChem (CID 134390545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).