7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole

C54H35NO2 — CID 142380457

IUPAC7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole
SMILESC1=Cc2c(oc3cc4c(cc23)c2ccccc2n4-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3cccc4c3oc3ccccc34)c2)CC1
InChIInChI=1S/C54H35NO2/c1-3-14-34(15-4-1)36-26-37(35-16-5-2-6-17-35)28-38(27-36)39-29-40(42-21-13-22-46-44-19-8-12-25-52(44)57-54(42)46)31-41(30-39)55-49-23-10-7-18-43(49)47-32-48-45-20-9-11-24-51(45)56-53(48)33-50(47)55/h1-10,12-23,25-33H,11,24H2
InChIKeyICGFPOBBELVBRX-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.06
Rot. Bonds5

About 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole

7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole (PubChem CID 142380457) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole
PubChem CID142380457
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC Name7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole
SMILESC1=Cc2c(oc3cc4c(cc23)c2ccccc2n4-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3cccc4c3oc3ccccc34)c2)CC1
InChIInChI=1S/C54H35NO2/c1-3-14-34(15-4-1)36-26-37(35-16-5-2-6-17-35)28-38(27-36)39-29-40(42-21-13-22-46-44-19-8-12-25-52(44)57-54(42)46)31-41(30-39)55-49-23-10-7-18-43(49)47-32-48-45-20-9-11-24-51(45)56-53(48)33-50(47)55/h1-10,12-23,25-33H,11,24H2
InChIKeyICGFPOBBELVBRX-UHFFFAOYSA-N
XLogP15.06
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

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CID 122492307
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9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
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3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
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Frequently Asked Questions

What is the IUPAC name of 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole (CID 142380457) is 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole is C1=Cc2c(oc3cc4c(cc23)c2ccccc2n4-c2cc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc(-c3cccc4c3oc3ccccc34)c2)CC1.
What is the InChIKey of 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole?
The InChIKey is ICGFPOBBELVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-14-34(15-4-1)36-26-37(35-16-5-2-6-17-35)28-38(27-36)39-29-40(42-21-13-22-46-44-19-8-12-25-52(44)57-54(42)46)31-41(30-39)55-49-23-10-7-18-43(49)47-32-48-45-20-9-11-24-51(45)56-53(48)33-50(47)55/h1-10,12-23,25-33H,11,24H2.
What are the key properties of 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole?
7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole has a molecular weight of 729.88 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-dibenzofuran-4-yl-5-(3,5-diphenylphenyl)phenyl]-3,4-dihydro-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 142380457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).