9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

C53H37NO — CID 166860028

IUPAC9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESCC1C(c2cccc3oc4c(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cccc4c23)=CC(c2ccccc2)=C2C=CC=CC21
InChIInChI=1S/C53H37NO/c1-34-40-21-11-12-22-41(40)45(37-19-9-4-10-20-37)33-44(34)42-23-14-26-51-52(42)43-24-13-25-50(53(43)55-51)54-48-29-27-38(35-15-5-2-6-16-35)31-46(48)47-32-39(28-30-49(47)54)36-17-7-3-8-18-36/h2-34,40H,1H3
InChIKeyKPIQHQYJZYBAPI-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.25
Rot. Bonds5

About 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole

9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (PubChem CID 166860028) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
PubChem CID166860028
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC Name9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
SMILESCC1C(c2cccc3oc4c(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cccc4c23)=CC(c2ccccc2)=C2C=CC=CC21
InChIInChI=1S/C53H37NO/c1-34-40-21-11-12-22-41(40)45(37-19-9-4-10-20-37)33-44(34)42-23-14-26-51-52(42)43-24-13-25-50(53(43)55-51)54-48-29-27-38(35-15-5-2-6-16-35)31-46(48)47-32-39(28-30-49(47)54)36-17-7-3-8-18-36/h2-34,40H,1H3
InChIKeyKPIQHQYJZYBAPI-UHFFFAOYSA-N
XLogP14.25
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[9-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 146337911
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-[9-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 166988116
2-[6-(2-phenylbenzo[b]carbazol-5-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 146491393
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 160548557
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
7-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,10-diphenylbenzo[c]carbazole
CID 162501443
9-[2-(3-dibenzofuran-1-ylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166037435
9-[7-(3-methylidene-4-phenyl-2,8a-dihydro-1H-quinolin-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 146336072
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
CID 162089206

Frequently Asked Questions

What is the IUPAC name of 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole (CID 166860028) is 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is CC1C(c2cccc3oc4c(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)cccc4c23)=CC(c2ccccc2)=C2C=CC=CC21.
What is the InChIKey of 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
The InChIKey is KPIQHQYJZYBAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-34-40-21-11-12-22-41(40)45(37-19-9-4-10-20-37)33-44(34)42-23-14-26-51-52(42)43-24-13-25-50(53(43)55-51)54-48-29-27-38(35-15-5-2-6-16-35)31-46(48)47-32-39(28-30-49(47)54)36-17-7-3-8-18-36/h2-34,40H,1H3.
What are the key properties of 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole?
9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole has a molecular weight of 703.89 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(1-methyl-4-phenyl-1,8a-dihydronaphthalen-2-yl)dibenzofuran-4-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 166860028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).