3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole

C53H33N3O — CID 90086397

IUPAC3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cn4)ccc32)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-40(11-3-1)55-47-15-7-4-12-41(47)44-30-37(22-26-49(44)55)38-23-27-50-45(31-38)42-13-5-8-16-48(42)56(50)53-29-25-39(33-54-53)35-20-18-34(19-21-35)36-24-28-52-46(32-36)43-14-6-9-17-51(43)57-52/h1-33H
InChIKeyWZXQNCIJHZLYIZ-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.18
Rot. Bonds5

About 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 90086397) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID90086397
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cn4)ccc32)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-40(11-3-1)55-47-15-7-4-12-41(47)44-30-37(22-26-49(44)55)38-23-27-50-45(31-38)42-13-5-8-16-48(42)56(50)53-29-25-39(33-54-53)35-20-18-34(19-21-35)36-24-28-52-46(32-36)43-14-6-9-17-51(43)57-52/h1-33H
InChIKeyWZXQNCIJHZLYIZ-UHFFFAOYSA-N
XLogP14.18
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-[2-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632665
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
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-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478

Frequently Asked Questions

What is the IUPAC name of 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (CID 90086397) is 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cn4)ccc32)cc1.
What is the InChIKey of 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is WZXQNCIJHZLYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-2-10-40(11-3-1)55-47-15-7-4-12-41(47)44-30-37(22-26-49(44)55)38-23-27-50-45(31-38)42-13-5-8-16-48(42)56(50)53-29-25-39(33-54-53)35-20-18-34(19-21-35)36-24-28-52-46(32-36)43-14-6-9-17-51(43)57-52/h1-33H.
What are the key properties of 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 727.87 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 90086397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).