9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole

C48H32N4 — CID 59629815

IUPAC9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole
SMILESC=Cc1cccc2c1c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C48H32N4/c1-2-32-17-14-28-46-47(32)40-24-8-11-27-45(40)52(46)36-20-12-18-34(29-36)42-31-41(33-15-4-3-5-16-33)49-48(50-42)35-19-13-21-37(30-35)51-43-25-9-6-22-38(43)39-23-7-10-26-44(39)51/h2-31H,1H2
InChIKeyCXYSVFASFIGSEB-UHFFFAOYSA-N
MW664.81 g/mol
LogP12.31
Rot. Bonds6

About 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole

9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole (PubChem CID 59629815) has the molecular formula C48H32N4 and a molecular weight of 664.81 g/mol. Its IUPAC name is 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole.

Molecular Properties

Compound Name9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole
PubChem CID59629815
Molecular FormulaC48H32N4
Molecular Weight664.81 g/mol
Exact Mass664.26
IUPAC Name9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole
SMILESC=Cc1cccc2c1c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C48H32N4/c1-2-32-17-14-28-46-47(32)40-24-8-11-27-45(40)52(46)36-20-12-18-34(29-36)42-31-41(33-15-4-3-5-16-33)49-48(50-42)35-19-13-21-37(30-35)51-43-25-9-6-22-38(43)39-23-7-10-26-44(39)51/h2-31H,1H2
InChIKeyCXYSVFASFIGSEB-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.81
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole 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-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]phenyl]-4-ethenylcarbazole
CID 59629753
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-ethenylcarbazole
CID 59629845
CID 144976694
CID 144976694
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158955537
9-[3-[4,6-bis(3-carbazol-9-ylphenyl)pyrimidin-2-yl]-5-ethenylphenyl]carbazole
CID 59629810
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-[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
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169037518
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
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole?
The IUPAC name of 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole (CID 59629815) is 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole.
What is the SMILES notation for 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole?
The canonical SMILES for 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole is C=Cc1cccc2c1c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)c1.
What is the InChIKey of 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole?
The InChIKey is CXYSVFASFIGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4/c1-2-32-17-14-28-46-47(32)40-24-8-11-27-45(40)52(46)36-20-12-18-34(29-36)42-31-41(33-15-4-3-5-16-33)49-48(50-42)35-19-13-21-37(30-35)51-43-25-9-6-22-38(43)39-23-7-10-26-44(39)51/h2-31H,1H2.
What are the key properties of 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole?
9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole has a molecular weight of 664.81 g/mol, XLogP of 12.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-4-ethenylcarbazole is sourced from PubChem (CID 59629815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).