2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole

C54H34N2O — CID 163479066

IUPAC2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7)cc6c6ccc(-c7ccccc7)cc65)cc4c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-4-12-35(13-5-1)38-21-26-50-45(30-38)43-18-10-11-19-49(43)55(50)41-23-28-53-47(33-41)48-34-42(24-29-54(48)57-53)56-51-27-22-39(36-14-6-2-7-15-36)31-46(51)44-25-20-40(32-52(44)56)37-16-8-3-9-17-37/h1-34H
InChIKeyCCYYNICNOXRFMC-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole

2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole (PubChem CID 163479066) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
PubChem CID163479066
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7)cc6c6ccc(-c7ccccc7)cc65)cc4c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-4-12-35(13-5-1)38-21-26-50-45(30-38)43-18-10-11-19-49(43)55(50)41-23-28-53-47(33-41)48-34-42(24-29-54(48)57-53)56-51-27-22-39(36-14-6-2-7-15-36)31-46(51)44-25-20-40(32-52(44)56)37-16-8-3-9-17-37/h1-34H
InChIKeyCCYYNICNOXRFMC-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
ethane;methane;9-phenyl-2-[8-[3-(3-phenylphenyl)carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 144724361
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole (CID 163479066) is 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7)cc6c6ccc(-c7ccccc7)cc65)cc4c3c2)cc1.
What is the InChIKey of 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is CCYYNICNOXRFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-4-12-35(13-5-1)38-21-26-50-45(30-38)43-18-10-11-19-49(43)55(50)41-23-28-53-47(33-41)48-34-42(24-29-54(48)57-53)56-51-27-22-39(36-14-6-2-7-15-36)31-46(51)44-25-20-40(32-52(44)56)37-16-8-3-9-17-37/h1-34H.
What are the key properties of 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole?
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 163479066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).