9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole

C73H45N13 — CID 138593244

IUPAC9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cc(-c3cc(-c4cccc(-c5nc(-c6cnc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6)nc(-c6ccccn6)n5)c4)ccn3)n2)cc1
InChIInChI=1S/C73H45N13/c1-2-15-46(16-3-1)70-80-61(52-42-76-68(77-43-52)47-28-32-54(33-29-47)85-64-24-8-4-19-56(64)57-20-5-9-25-65(57)85)41-63(81-70)62-40-50(36-38-75-62)49-17-14-18-51(39-49)71-82-72(84-73(83-71)60-23-12-13-37-74-60)53-44-78-69(79-45-53)48-30-34-55(35-31-48)86-66-26-10-6-21-58(66)59-22-7-11-27-67(59)86/h1-45H
InChIKeyKYBLWICASBCBTL-UHFFFAOYSA-N
MW1104.25 g/mol
LogP16.23
Rot. Bonds11

About 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole

9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole (PubChem CID 138593244) has the molecular formula C73H45N13 and a molecular weight of 1104.25 g/mol. Its IUPAC name is 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole
PubChem CID138593244
Molecular FormulaC73H45N13
Molecular Weight1104.25 g/mol
Exact Mass1103.39
IUPAC Name9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3cnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cc(-c3cc(-c4cccc(-c5nc(-c6cnc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6)nc(-c6ccccn6)n5)c4)ccn3)n2)cc1
InChIInChI=1S/C73H45N13/c1-2-15-46(16-3-1)70-80-61(52-42-76-68(77-43-52)47-28-32-54(33-29-47)85-64-24-8-4-19-56(64)57-20-5-9-25-65(57)85)41-63(81-70)62-40-50(36-38-75-62)49-17-14-18-51(39-49)71-82-72(84-73(83-71)60-23-12-13-37-74-60)53-44-78-69(79-45-53)48-30-34-55(35-31-48)86-66-26-10-6-21-58(66)59-22-7-11-27-67(59)86/h1-45H
InChIKeyKYBLWICASBCBTL-UHFFFAOYSA-N
XLogP16.23
TPSA151.65 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.25
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole (CID 138593244) is 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3cnc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc3)cc(-c3cc(-c4cccc(-c5nc(-c6cnc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc6)nc(-c6ccccn6)n5)c4)ccn3)n2)cc1.
What is the InChIKey of 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is KYBLWICASBCBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H45N13/c1-2-15-46(16-3-1)70-80-61(52-42-76-68(77-43-52)47-28-32-54(33-29-47)85-64-24-8-4-19-56(64)57-20-5-9-25-65(57)85)41-63(81-70)62-40-50(36-38-75-62)49-17-14-18-51(39-49)71-82-72(84-73(83-71)60-23-12-13-37-74-60)53-44-78-69(79-45-53)48-30-34-55(35-31-48)86-66-26-10-6-21-58(66)59-22-7-11-27-67(59)86/h1-45H.
What are the key properties of 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole?
9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 1104.25 g/mol, XLogP of 16.23, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[4-[3-[2-[6-[2-(4-carbazol-9-ylphenyl)pyrimidin-5-yl]-2-phenylpyrimidin-4-yl]-4-pyridinyl]phenyl]-6-pyridin-2-yl-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 138593244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).