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

C46H30N4 — CID 59449561

IUPAC9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cncc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C46H30N4/c1-5-13-43-39(9-1)40-10-2-6-14-44(40)49(43)37-21-17-31(18-22-37)33-25-35(29-47-27-33)36-26-34(28-48-30-36)32-19-23-38(24-20-32)50-45-15-7-3-11-41(45)42-12-4-8-16-46(42)50/h1-30H
InChIKeyAHWDMCFAUAYULZ-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

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

9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole (PubChem CID 59449561) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
PubChem CID59449561
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cncc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1
InChIInChI=1S/C46H30N4/c1-5-13-43-39(9-1)40-10-2-6-14-44(40)49(43)37-21-17-31(18-22-37)33-25-35(29-47-27-33)36-26-34(28-48-30-36)32-19-23-38(24-20-32)50-45-15-7-3-11-41(45)42-12-4-8-16-46(42)50/h1-30H
InChIKeyAHWDMCFAUAYULZ-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-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole (CID 59449561) is 9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cncc(-c3cncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)c2)cc1.
What is the InChIKey of 9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
The InChIKey is AHWDMCFAUAYULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-5-13-43-39(9-1)40-10-2-6-14-44(40)49(43)37-21-17-31(18-22-37)33-25-35(29-47-27-33)36-26-34(28-48-30-36)32-19-23-38(24-20-32)50-45-15-7-3-11-41(45)42-12-4-8-16-46(42)50/h1-30H.
What are the key properties of 9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
9-[4-[5-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-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-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 59449561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).