9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole

C46H30N4 — CID 56943730

IUPAC9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cn2)cc1
InChIInChI=1S/C46H30N4/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)35-23-17-31(18-24-35)41-27-21-33(29-47-41)34-22-28-42(48-30-34)32-19-25-36(26-20-32)50-45-15-7-3-11-39(45)40-12-4-8-16-46(40)50/h1-30H
InChIKeyOLYNQAZCODQSFZ-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole

9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole (PubChem CID 56943730) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
PubChem CID56943730
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cn2)cc1
InChIInChI=1S/C46H30N4/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)35-23-17-31(18-24-35)41-27-21-33(29-47-41)34-22-28-42(48-30-34)32-19-25-36(26-20-32)50-45-15-7-3-11-39(45)40-12-4-8-16-46(40)50/h1-30H
InChIKeyOLYNQAZCODQSFZ-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole (CID 56943730) is 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cn2)cc1.
What is the InChIKey of 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole?
The InChIKey is OLYNQAZCODQSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-5-13-43-37(9-1)38-10-2-6-14-44(38)49(43)35-23-17-31(18-24-35)41-27-21-33(29-47-41)34-22-28-42(48-30-34)32-19-25-36(26-20-32)50-45-15-7-3-11-39(45)40-12-4-8-16-46(40)50/h1-30H.
What are the key properties of 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole?
9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[6-(4-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 56943730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).