3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole

C62H42N2O — CID 134370621

IUPAC3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc54)cc3)cc2)c1
InChIInChI=1S/C62H42N2O/c1-39-34-40(2)36-47(35-39)43-20-18-41(19-21-43)42-22-28-48(29-23-42)63-57-15-6-3-10-51(57)55-37-45(26-32-59(55)63)46-27-33-60-56(38-46)52-11-4-7-16-58(52)64(60)49-30-24-44(25-31-49)50-13-9-14-54-53-12-5-8-17-61(53)65-62(50)54/h3-38H,1-2H3
InChIKeyJEHNOIOOVGSONI-UHFFFAOYSA-N
MW831.03 g/mol
LogP17.07
Rot. Bonds6

About 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole (PubChem CID 134370621) has the molecular formula C62H42N2O and a molecular weight of 831.03 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
PubChem CID134370621
Molecular FormulaC62H42N2O
Molecular Weight831.03 g/mol
Exact Mass830.33
IUPAC Name3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc54)cc3)cc2)c1
InChIInChI=1S/C62H42N2O/c1-39-34-40(2)36-47(35-39)43-20-18-41(19-21-43)42-22-28-48(29-23-42)63-57-15-6-3-10-51(57)55-37-45(26-32-59(55)63)46-27-33-60-56(38-46)52-11-4-7-16-58(52)64(60)49-30-24-44(25-31-49)50-13-9-14-54-53-12-5-8-17-61(53)65-62(50)54/h3-38H,1-2H3
InChIKeyJEHNOIOOVGSONI-UHFFFAOYSA-N
XLogP17.07
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.03
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(4-bromophenyl)phenyl]-3-(4-dibenzofuran-4-ylphenyl)carbazole
CID 118402480
9-(4-dibenzofuran-4-ylphenyl)-3-methylcarbazole
CID 129128081
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
4-(4-bromophenyl)dibenzofuran;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 158714965
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-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
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
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole (CID 134370621) is 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole is Cc1cc(C)cc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc54)cc3)cc2)c1.
What is the InChIKey of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole?
The InChIKey is JEHNOIOOVGSONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O/c1-39-34-40(2)36-47(35-39)43-20-18-41(19-21-43)42-22-28-48(29-23-42)63-57-15-6-3-10-51(57)55-37-45(26-32-59(55)63)46-27-33-60-56(38-46)52-11-4-7-16-58(52)64(60)49-30-24-44(25-31-49)50-13-9-14-54-53-12-5-8-17-61(53)65-62(50)54/h3-38H,1-2H3.
What are the key properties of 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole?
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole has a molecular weight of 831.03 g/mol, XLogP of 17.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 134370621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).