3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole

C52H32N2O — CID 155305806

IUPAC3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C52H32N2O/c1-2-15-39-33(11-1)12-10-21-46(39)54-48-20-7-4-17-41(48)44-31-36(24-27-50(44)54)35-23-26-49-43(30-35)40-16-3-6-19-47(40)53(49)38-14-9-13-34(29-38)37-25-28-52-45(32-37)42-18-5-8-22-51(42)55-52/h1-32H
InChIKeyRQSOOWYRXSFYSX-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole

3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 155305806) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
PubChem CID155305806
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1
InChIInChI=1S/C52H32N2O/c1-2-15-39-33(11-1)12-10-21-46(39)54-48-20-7-4-17-41(48)44-31-36(24-27-50(44)54)35-23-26-49-43(30-35)40-16-3-6-19-47(40)53(49)38-14-9-13-34(29-38)37-25-28-52-45(32-37)42-18-5-8-22-51(42)55-52/h1-32H
InChIKeyRQSOOWYRXSFYSX-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[9-(3-dibenzofuran-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118534493
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-1-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-naphthalen-2-ylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole;2-(9-dibenzofuran-3-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161318809
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole (CID 155305806) is 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)ccc32)c1.
What is the InChIKey of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
The InChIKey is RQSOOWYRXSFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-15-39-33(11-1)12-10-21-46(39)54-48-20-7-4-17-41(48)44-31-36(24-27-50(44)54)35-23-26-49-43(30-35)40-16-3-6-19-47(40)53(49)38-14-9-13-34(29-38)37-25-28-52-45(32-37)42-18-5-8-22-51(42)55-52/h1-32H.
What are the key properties of 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole?
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 155305806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).