9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole

C60H39N5 — CID 59629810

IUPAC9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole
SMILESC=Cc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H39N5/c1-2-39-33-42(37-45(34-39)65-58-31-13-7-25-50(58)51-26-8-14-32-59(51)65)60-61-52(40-17-15-19-43(35-40)63-54-27-9-3-21-46(54)47-22-4-10-28-55(47)63)38-53(62-60)41-18-16-20-44(36-41)64-56-29-11-5-23-48(56)49-24-6-12-30-57(49)64/h2-38H,1H2
InChIKeyDPCVWJPSOJJGRG-UHFFFAOYSA-N
MW830.01 g/mol
LogP15.41
Rot. Bonds7

About 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole

9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole (PubChem CID 59629810) has the molecular formula C60H39N5 and a molecular weight of 830.01 g/mol. Its IUPAC name is 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole
PubChem CID59629810
Molecular FormulaC60H39N5
Molecular Weight830.01 g/mol
Exact Mass829.32
IUPAC Name9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole
SMILESC=Cc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C60H39N5/c1-2-39-33-42(37-45(34-39)65-58-31-13-7-25-50(58)51-26-8-14-32-59(51)65)60-61-52(40-17-15-19-43(35-40)63-54-27-9-3-21-46(54)47-22-4-10-28-55(47)63)38-53(62-60)41-18-16-20-44(36-41)64-56-29-11-5-23-48(56)49-24-6-12-30-57(49)64/h2-38H,1H2
InChIKeyDPCVWJPSOJJGRG-UHFFFAOYSA-N
XLogP15.41
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.01
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole with MolForge

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

Launch Full Analysis

Related Compounds

9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole
CID 59629845
9-[3-carbazol-9-yl-5-[6-[3,5-di(carbazol-9-yl)phenyl]-4-(3-ethenylphenyl)-2-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[6-[3,5-di(carbazol-9-yl)phenyl]-4-(4-ethenylphenyl)-2-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[6-[3,5-di(carbazol-9-yl)phenyl]-2-(4-ethenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158649667
9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]-4-ethenylcarbazole
CID 59629753
9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole
CID 59629815
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164988819
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 122465672
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
9-[3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 121258073
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
9-[3-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 118901401
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole?
The IUPAC name of 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole (CID 59629810) is 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole.
What is the SMILES notation for 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole?
The canonical SMILES for 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole is C=Cc1cc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole?
The InChIKey is DPCVWJPSOJJGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5/c1-2-39-33-42(37-45(34-39)65-58-31-13-7-25-50(58)51-26-8-14-32-59(51)65)60-61-52(40-17-15-19-43(35-40)63-54-27-9-3-21-46(54)47-22-4-10-28-55(47)63)38-53(62-60)41-18-16-20-44(36-41)64-56-29-11-5-23-48(56)49-24-6-12-30-57(49)64/h2-38H,1H2.
What are the key properties of 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole?
9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole has a molecular weight of 830.01 g/mol, XLogP of 15.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole is sourced from PubChem (CID 59629810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).