3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole

C66H38N2O3 — CID 121449462

IUPAC3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8cc(-c9cccc%10c9oc9ccccc9%10)ccc87)cc6c5c4)cc3)cccc12
InChIInChI=1S/C66H38N2O3/c1-5-19-57-47(11-1)53-36-41(45-15-9-17-51-49-13-3-7-21-61(49)70-65(45)51)25-31-59(53)67(57)43-28-23-39(24-29-43)40-27-33-63-55(35-40)56-38-44(30-34-64(56)69-63)68-58-20-6-2-12-48(58)54-37-42(26-32-60(54)68)46-16-10-18-52-50-14-4-8-22-62(50)71-66(46)52/h1-38H
InChIKeyYOTTYUXTYRJYLA-UHFFFAOYSA-N
MW907.04 g/mol
LogP18.58
Rot. Bonds5

About 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole

3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 121449462) has the molecular formula C66H38N2O3 and a molecular weight of 907.04 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
PubChem CID121449462
Molecular FormulaC66H38N2O3
Molecular Weight907.04 g/mol
Exact Mass906.29
IUPAC Name3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8cc(-c9cccc%10c9oc9ccccc9%10)ccc87)cc6c5c4)cc3)cccc12
InChIInChI=1S/C66H38N2O3/c1-5-19-57-47(11-1)53-36-41(45-15-9-17-51-49-13-3-7-21-61(49)70-65(45)51)25-31-59(53)67(57)43-28-23-39(24-29-43)40-27-33-63-55(35-40)56-38-44(30-34-64(56)69-63)68-58-20-6-2-12-48(58)54-37-42(26-32-60(54)68)46-16-10-18-52-50-14-4-8-22-62(50)71-66(46)52/h1-38H
InChIKeyYOTTYUXTYRJYLA-UHFFFAOYSA-N
XLogP18.58
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.04
LogP ≤ 518.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137466609
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole (CID 121449462) is 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole is c1ccc2c(c1)oc1c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc5oc6ccc(-n7c8ccccc8c8cc(-c9cccc%10c9oc9ccccc9%10)ccc87)cc6c5c4)cc3)cccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole?
The InChIKey is YOTTYUXTYRJYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N2O3/c1-5-19-57-47(11-1)53-36-41(45-15-9-17-51-49-13-3-7-21-61(49)70-65(45)51)25-31-59(53)67(57)43-28-23-39(24-29-43)40-27-33-63-55(35-40)56-38-44(30-34-64(56)69-63)68-58-20-6-2-12-48(58)54-37-42(26-32-60(54)68)46-16-10-18-52-50-14-4-8-22-62(50)71-66(46)52/h1-38H.
What are the key properties of 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole?
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole has a molecular weight of 907.04 g/mol, XLogP of 18.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole is sourced from PubChem (CID 121449462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).