9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole

C53H34N4 — CID 170198443

IUPAC9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole
SMILESCc1cccc2c1c1ccccc1n2-c1cc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C53H34N4/c1-33-15-14-28-50-52(33)44-24-10-13-27-49(44)56(50)51-32-46(54-53(55-51)57-47-25-11-8-22-42(47)43-23-9-12-26-48(43)57)34-29-30-41-39-20-5-4-18-37(39)35-16-2-3-17-36(35)38-19-6-7-21-40(38)45(41)31-34/h2-32H,1H3/b37-35-,38-36-,41-39-,45-40-
InChIKeyWHMIUBCPDUEIEH-AZZOMEMOSA-N
MW726.88 g/mol
LogP13.63
Rot. Bonds3

About 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole

9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole (PubChem CID 170198443) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole.

Molecular Properties

Compound Name9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole
PubChem CID170198443
Molecular FormulaC53H34N4
Molecular Weight726.88 g/mol
Exact Mass726.28
IUPAC Name9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole
SMILESCc1cccc2c1c1ccccc1n2-c1cc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C53H34N4/c1-33-15-14-28-50-52(33)44-24-10-13-27-49(44)56(50)51-32-46(54-53(55-51)57-47-25-11-8-22-42(47)43-23-9-12-26-48(43)57)34-29-30-41-39-20-5-4-18-37(39)35-16-2-3-17-36(35)38-19-6-7-21-40(38)45(41)31-34/h2-32H,1H3/b37-35-,38-36-,41-39-,45-40-
InChIKeyWHMIUBCPDUEIEH-AZZOMEMOSA-N
XLogP13.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-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-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943440
9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
CID 169021296
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943683
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane
CID 170681775
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
12-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 166922873
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
3-(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-2-yl]carbazole
CID 134236891
3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
9-[7-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630678
3-[3-carbazol-9-yl-2-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 171578191

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole?
The IUPAC name of 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole (CID 170198443) is 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole.
What is the SMILES notation for 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole?
The canonical SMILES for 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole is Cc1cccc2c1c1ccccc1n2-c1cc(-c2ccc3c(c2)-c2ccccc2-c2ccccc2-c2ccccc2-3)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole?
The InChIKey is WHMIUBCPDUEIEH-AZZOMEMOSA-N. The full InChI is InChI=1S/C53H34N4/c1-33-15-14-28-50-52(33)44-24-10-13-27-49(44)56(50)51-32-46(54-53(55-51)57-47-25-11-8-22-42(47)43-23-9-12-26-48(43)57)34-29-30-41-39-20-5-4-18-37(39)35-16-2-3-17-36(35)38-19-6-7-21-40(38)45(41)31-34/h2-32H,1H3/b37-35-,38-36-,41-39-,45-40-.
What are the key properties of 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole?
9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole has a molecular weight of 726.88 g/mol, XLogP of 13.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-carbazol-9-yl-6-tetraphenylen-2-ylpyrimidin-4-yl)-4-methylcarbazole is sourced from PubChem (CID 170198443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).