3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole

C54H34N2O — CID 146490591

IUPAC3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)c5c4oc4ccccc45)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2O/c1-4-15-35(16-5-1)37-27-30-48-45(33-37)52-40(23-14-25-49(52)55(48)39-19-8-3-9-20-39)38-28-31-47-44(34-38)42-21-10-12-24-46(42)56(47)50-32-29-41(36-17-6-2-7-18-36)53-43-22-11-13-26-51(43)57-54(50)53/h1-34H
InChIKeyLFEXMOXQZJUEIA-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole

3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole (PubChem CID 146490591) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole
PubChem CID146490591
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)c5c4oc4ccccc45)cccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2O/c1-4-15-35(16-5-1)37-27-30-48-45(33-37)52-40(23-14-25-49(52)55(48)39-19-8-3-9-20-39)38-28-31-47-44(34-38)42-21-10-12-24-46(42)56(47)50-32-29-41(36-17-6-2-7-18-36)53-43-22-11-13-26-51(43)57-54(50)53/h1-34H
InChIKeyLFEXMOXQZJUEIA-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-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
9-phenyl-2-[2-[3-[4-[3-[9-phenyl-5-[3-[3-[4-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]carbazol-1-yl]carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-7-[9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazol-3-yl]carbazole
CID 166867094
2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-3-yl]-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole;2-[9-(2-phenylphenyl)carbazol-4-yl]-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 163889924
3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
CID 162489011
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
9-phenyl-1-[2-[3-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-1-yl]phenyl]phenyl]-5-[9-[1-(3-phenylphenyl)dibenzofuran-4-yl]carbazol-2-yl]carbazole
CID 166867085
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
4-(9-phenylcarbazol-1-yl)-9-(1-phenyldibenzofuran-4-yl)carbazole
CID 146490407
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole?
The IUPAC name of 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole (CID 146490591) is 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole is c1ccc(-c2ccc3c(c2)c2c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)c5c4oc4ccccc45)cccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole?
The InChIKey is LFEXMOXQZJUEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-4-15-35(16-5-1)37-27-30-48-45(33-37)52-40(23-14-25-49(52)55(48)39-19-8-3-9-20-39)38-28-31-47-44(34-38)42-21-10-12-24-46(42)56(47)50-32-29-41(36-17-6-2-7-18-36)53-43-22-11-13-26-51(43)57-54(50)53/h1-34H.
What are the key properties of 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole?
3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-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 3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 146490591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).