3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole

C50H31NO — CID 142356757

IUPAC3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
SMILESc1ccc2c(-c3cc(-c4cccc5ccccc45)cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)cccc2c1
InChIInChI=1S/C50H31NO/c1-3-16-38-32(12-1)14-9-20-40(38)35-28-36(41-21-10-15-33-13-2-4-17-39(33)41)30-37(29-35)51-47-24-7-5-18-43(47)46-31-34(26-27-48(46)51)42-22-11-23-45-44-19-6-8-25-49(44)52-50(42)45/h1-31H
InChIKeyKYHFRNFMMKRIDQ-UHFFFAOYSA-N
MW661.80 g/mol
LogP13.99
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole

3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole (PubChem CID 142356757) has the molecular formula C50H31NO and a molecular weight of 661.80 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
PubChem CID142356757
Molecular FormulaC50H31NO
Molecular Weight661.80 g/mol
Exact Mass661.24
IUPAC Name3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
SMILESc1ccc2c(-c3cc(-c4cccc5ccccc45)cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)cccc2c1
InChIInChI=1S/C50H31NO/c1-3-16-38-32(12-1)14-9-20-40(38)35-28-36(41-21-10-15-33-13-2-4-17-39(33)41)30-37(29-35)51-47-24-7-5-18-43(47)46-31-34(26-27-48(46)51)42-22-11-23-45-44-19-6-8-25-49(44)52-50(42)45/h1-31H
InChIKeyKYHFRNFMMKRIDQ-UHFFFAOYSA-N
XLogP13.99
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.80
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(9,10-dinaphthalen-1-ylanthracen-2-yl)carbazole
CID 87156900
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
9-[3-(4-chlorophenyl)-5-dibenzofuran-4-ylphenyl]carbazole
CID 170273136
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole (CID 142356757) is 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole is c1ccc2c(-c3cc(-c4cccc5ccccc45)cc(-n4c5ccccc5c5cc(-c6cccc7c6oc6ccccc67)ccc54)c3)cccc2c1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole?
The InChIKey is KYHFRNFMMKRIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO/c1-3-16-38-32(12-1)14-9-20-40(38)35-28-36(41-21-10-15-33-13-2-4-17-39(33)41)30-37(29-35)51-47-24-7-5-18-43(47)46-31-34(26-27-48(46)51)42-22-11-23-45-44-19-6-8-25-49(44)52-50(42)45/h1-31H.
What are the key properties of 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole?
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole has a molecular weight of 661.80 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole is sourced from PubChem (CID 142356757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).