3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole

C33H27NO — CID 144782323

IUPAC3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole
SMILESCc1ccc2oc3ccc(CC4C=CC(n5c6ccccc6c6cc(C)ccc65)=CC4)cc3c2c1
InChIInChI=1S/C33H27NO/c1-21-7-14-31-27(17-21)26-5-3-4-6-30(26)34(31)25-12-9-23(10-13-25)19-24-11-16-33-29(20-24)28-18-22(2)8-15-32(28)35-33/h3-9,11-18,20,23H,10,19H2,1-2H3
InChIKeyZHHAQUJWHYKJLL-UHFFFAOYSA-N
MW453.59 g/mol
LogP8.97
Rot. Bonds3

About 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole

3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole (PubChem CID 144782323) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole.

Molecular Properties

Compound Name3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole
PubChem CID144782323
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC Name3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole
SMILESCc1ccc2oc3ccc(CC4C=CC(n5c6ccccc6c6cc(C)ccc65)=CC4)cc3c2c1
InChIInChI=1S/C33H27NO/c1-21-7-14-31-27(17-21)26-5-3-4-6-30(26)34(31)25-12-9-23(10-13-25)19-24-11-16-33-29(20-24)28-18-22(2)8-15-32(28)35-33/h3-9,11-18,20,23H,10,19H2,1-2H3
InChIKeyZHHAQUJWHYKJLL-UHFFFAOYSA-N
XLogP8.97
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-ethylcyclohexa-1,5-dien-1-yl)carbazole
CID 123432152
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
3-methyl-9-[8-[3-(3-octylcarbazol-9-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 126754777
2-[9-(8-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]ethanethiol
CID 134420356
12-(8-methyldibenzofuran-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 144930867
9-[7-(7-methyldibenzofuran-2-yl)dibenzofuran-3-yl]carbazole
CID 170079327
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
3-methyl-9-(8-methyl-4a,9b-dihydrodibenzofuran-2-yl)carbazole
CID 138722958
9-(4-phenylcyclohexa-1,5-dien-1-yl)-3-(4-phenylphenyl)carbazole
CID 129022406
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole?
The IUPAC name of 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole (CID 144782323) is 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole.
What is the SMILES notation for 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole?
The canonical SMILES for 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole is Cc1ccc2oc3ccc(CC4C=CC(n5c6ccccc6c6cc(C)ccc65)=CC4)cc3c2c1.
What is the InChIKey of 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole?
The InChIKey is ZHHAQUJWHYKJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO/c1-21-7-14-31-27(17-21)26-5-3-4-6-30(26)34(31)25-12-9-23(10-13-25)19-24-11-16-33-29(20-24)28-18-22(2)8-15-32(28)35-33/h3-9,11-18,20,23H,10,19H2,1-2H3.
What are the key properties of 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole?
3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole has a molecular weight of 453.59 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-[4-[(8-methyldibenzofuran-2-yl)methyl]cyclohexa-1,5-dien-1-yl]carbazole is sourced from PubChem (CID 144782323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).