9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole

C71H47N5 — CID 158632518

IUPAC9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C71H47N5/c1-46-38-39-69-61(40-46)58-32-12-17-37-68(58)76(69)70-59(49-24-18-26-52(41-49)74-64-33-13-8-28-54(64)55-29-9-14-34-65(55)74)43-51(71-72-62(47-20-4-2-5-21-47)45-63(73-71)48-22-6-3-7-23-48)44-60(70)50-25-19-27-53(42-50)75-66-35-15-10-30-56(66)57-31-11-16-36-67(57)75/h2-45H,1H3
InChIKeyNCAKGPSZAJNHLV-UHFFFAOYSA-N
MW970.19 g/mol
LogP18.41
Rot. Bonds8

About 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole

9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole (PubChem CID 158632518) has the molecular formula C71H47N5 and a molecular weight of 970.19 g/mol. Its IUPAC name is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
PubChem CID158632518
Molecular FormulaC71H47N5
Molecular Weight970.19 g/mol
Exact Mass969.38
IUPAC Name9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C71H47N5/c1-46-38-39-69-61(40-46)58-32-12-17-37-68(58)76(69)70-59(49-24-18-26-52(41-49)74-64-33-13-8-28-54(64)55-29-9-14-34-65(55)74)43-51(71-72-62(47-20-4-2-5-21-47)45-63(73-71)48-22-6-3-7-23-48)44-60(70)50-25-19-27-53(42-50)75-66-35-15-10-30-56(66)57-31-11-16-36-67(57)75/h2-45H,1H3
InChIKeyNCAKGPSZAJNHLV-UHFFFAOYSA-N
XLogP18.41
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.19
LogP ≤ 518.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole 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-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 159949401
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 159640112
9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 158582590
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166786535
2-[9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 166786478
2,6-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280663
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3-methylcarbazole
CID 158199307
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
CID 159670250
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146280880
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 160614221

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole?
The IUPAC name of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole (CID 158632518) is 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole?
The InChIKey is NCAKGPSZAJNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H47N5/c1-46-38-39-69-61(40-46)58-32-12-17-37-68(58)76(69)70-59(49-24-18-26-52(41-49)74-64-33-13-8-28-54(64)55-29-9-14-34-65(55)74)43-51(71-72-62(47-20-4-2-5-21-47)45-63(73-71)48-22-6-3-7-23-48)44-60(70)50-25-19-27-53(42-50)75-66-35-15-10-30-56(66)57-31-11-16-36-67(57)75/h2-45H,1H3.
What are the key properties of 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole?
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole has a molecular weight of 970.19 g/mol, XLogP of 18.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 158632518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).