9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole

C66H42N2O2 — CID 71164662

IUPAC9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
SMILESC1=CC(c2cccc3c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c23)=CC(c2cccc3c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c23)C1
InChIInChI=1S/C66H42N2O2/c1-5-28-59-51(20-1)55-26-12-24-49(65(55)67(59)47-18-10-14-41(37-47)43-32-34-63-57(39-43)53-22-3-7-30-61(53)69-63)45-16-9-17-46(36-45)50-25-13-27-56-52-21-2-6-29-60(52)68(66(50)56)48-19-11-15-42(38-48)44-33-35-64-58(40-44)54-23-4-8-31-62(54)70-64/h1-16,18-40,46H,17H2
InChIKeyNIRDNUGHMCJFOT-UHFFFAOYSA-N
MW895.07 g/mol
LogP18.14
Rot. Bonds6

About 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole

9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole (PubChem CID 71164662) has the molecular formula C66H42N2O2 and a molecular weight of 895.07 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
PubChem CID71164662
Molecular FormulaC66H42N2O2
Molecular Weight895.07 g/mol
Exact Mass894.32
IUPAC Name9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
SMILESC1=CC(c2cccc3c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c23)=CC(c2cccc3c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c23)C1
InChIInChI=1S/C66H42N2O2/c1-5-28-59-51(20-1)55-26-12-24-49(65(55)67(59)47-18-10-14-41(37-47)43-32-34-63-57(39-43)53-22-3-7-30-61(53)69-63)45-16-9-17-46(36-45)50-25-13-27-56-52-21-2-6-29-60(52)68(66(50)56)48-19-11-15-42(38-48)44-33-35-64-58(40-44)54-23-4-8-31-62(54)70-64/h1-16,18-40,46H,17H2
InChIKeyNIRDNUGHMCJFOT-UHFFFAOYSA-N
XLogP18.14
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.07
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-methylphenyl)-1-[3-[9-(3-methylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole
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3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
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CID 163643866
1-dibenzofuran-1-yl-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
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1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
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3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922

Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
The IUPAC name of 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole (CID 71164662) is 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole.
What is the SMILES notation for 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
The canonical SMILES for 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole is C1=CC(c2cccc3c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c23)=CC(c2cccc3c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)c23)C1.
What is the InChIKey of 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
The InChIKey is NIRDNUGHMCJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2O2/c1-5-28-59-51(20-1)55-26-12-24-49(65(55)67(59)47-18-10-14-41(37-47)43-32-34-63-57(39-43)53-22-3-7-30-61(53)69-63)45-16-9-17-46(36-45)50-25-13-27-56-52-21-2-6-29-60(52)68(66(50)56)48-19-11-15-42(38-48)44-33-35-64-58(40-44)54-23-4-8-31-62(54)70-64/h1-16,18-40,46H,17H2.
What are the key properties of 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole?
9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole has a molecular weight of 895.07 g/mol, XLogP of 18.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzofuran-2-ylphenyl)-1-[3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-1-yl]cyclohexa-1,5-dien-1-yl]carbazole is sourced from PubChem (CID 71164662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).