3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole

C108H68N8 — CID 162054699

IUPAC3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7ccccc7c6c5)ccc43)n2)cc1
InChIInChI=1S/2C54H34N4/c1-3-14-37(15-4-1)48-34-49(38-16-5-2-6-17-38)56-54(55-48)58-51-22-12-10-20-44(51)47-32-40(27-30-53(47)58)39-26-29-52-46(31-39)43-19-9-11-21-50(43)57(52)41-28-25-36-24-23-35-13-7-8-18-42(35)45(36)33-41;1-3-15-35(16-4-1)47-34-48(36-17-5-2-6-18-36)56-54(55-47)58-50-26-14-12-24-44(50)46-32-38(28-30-52(46)58)37-27-29-51-45(31-37)43-23-11-13-25-49(43)57(51)53-33-39-19-7-8-20-40(39)41-21-9-10-22-42(41)53/h2*1-34H
InChIKeyYZADHVBGBMJMRS-UHFFFAOYSA-N
MW1477.79 g/mol
LogP27.96
Rot. Bonds10

About 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole (PubChem CID 162054699) has the molecular formula C108H68N8 and a molecular weight of 1477.79 g/mol. Its IUPAC name is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole.

Molecular Properties

Compound Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
PubChem CID162054699
Molecular FormulaC108H68N8
Molecular Weight1477.79 g/mol
Exact Mass1476.56
IUPAC Name3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7ccccc7c6c5)ccc43)n2)cc1
InChIInChI=1S/2C54H34N4/c1-3-14-37(15-4-1)48-34-49(38-16-5-2-6-17-38)56-54(55-48)58-51-22-12-10-20-44(51)47-32-40(27-30-53(47)58)39-26-29-52-46(31-39)43-19-9-11-21-50(43)57(52)41-28-25-36-24-23-35-13-7-8-18-42(35)45(36)33-41;1-3-15-35(16-4-1)47-34-48(36-17-5-2-6-18-36)56-54(55-47)58-50-26-14-12-24-44(50)46-32-38(28-30-52(46)58)37-27-29-51-45(31-37)43-23-11-13-25-49(43)57(51)53-33-39-19-7-8-20-40(39)41-21-9-10-22-42(41)53/h2*1-34H
InChIKeyYZADHVBGBMJMRS-UHFFFAOYSA-N
XLogP27.96
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001477.79
LogP ≤ 527.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole 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

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole
CID 88559257
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole
CID 158148776
3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-9-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159141547
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88559249
3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)pyrimidin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 165084456
3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-3-ylcarbazole
CID 157495476
23-(4,6-diphenylpyrimidin-2-yl)-23-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 121432065
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
3-(9-benzo[c]phenanthren-5-ylcarbazol-3-yl)-9-phenanthren-9-ylcarbazole;3-(9-chrysen-2-ylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole
CID 158409298
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenanthren-9-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158986267
3-(3-carbazol-9-ylphenyl)-6-(4,6-diphenyl-2-pyridinyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 144573716
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole?
The IUPAC name of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole (CID 162054699) is 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole.
What is the SMILES notation for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole?
The canonical SMILES for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccc7ccccc7c6c5)ccc43)n2)cc1.
What is the InChIKey of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole?
The InChIKey is YZADHVBGBMJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34N4/c1-3-14-37(15-4-1)48-34-49(38-16-5-2-6-17-38)56-54(55-48)58-51-22-12-10-20-44(51)47-32-40(27-30-53(47)58)39-26-29-52-46(31-39)43-19-9-11-21-50(43)57(52)41-28-25-36-24-23-35-13-7-8-18-42(35)45(36)33-41;1-3-15-35(16-4-1)47-34-48(36-17-5-2-6-18-36)56-54(55-47)58-50-26-14-12-24-44(50)46-32-38(28-30-52(46)58)37-27-29-51-45(31-37)43-23-11-13-25-49(43)57(51)53-33-39-19-7-8-20-40(39)41-21-9-10-22-42(41)53/h2*1-34H.
What are the key properties of 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole?
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole has a molecular weight of 1477.79 g/mol, XLogP of 27.96, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-3-ylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenanthren-9-ylcarbazole is sourced from PubChem (CID 162054699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).