4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine

C59H38N4 — CID 146549089

IUPAC4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)cc3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C59H38N4/c1-4-17-39(18-5-1)46-27-15-29-50-56(46)51-30-16-28-47(58(51)62-57(50)42-19-6-2-7-20-42)40-33-35-41(36-34-40)52-38-53(61-59(60-52)43-21-8-3-9-22-43)44-23-14-24-45(37-44)63-54-31-12-10-25-48(54)49-26-11-13-32-55(49)63/h1-38H
InChIKeyBANPOWSGFRWCCB-UHFFFAOYSA-N
MW802.98 g/mol
LogP15.28
Rot. Bonds7

About 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine

4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 146549089) has the molecular formula C59H38N4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
PubChem CID146549089
Molecular FormulaC59H38N4
Molecular Weight802.98 g/mol
Exact Mass802.31
IUPAC Name4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)cc3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C59H38N4/c1-4-17-39(18-5-1)46-27-15-29-50-56(46)51-30-16-28-47(58(51)62-57(50)42-19-6-2-7-20-42)40-33-35-41(36-34-40)52-38-53(61-59(60-52)43-21-8-3-9-22-43)44-23-14-24-45(37-44)63-54-31-12-10-25-48(54)49-26-11-13-32-55(49)63/h1-38H
InChIKeyBANPOWSGFRWCCB-UHFFFAOYSA-N
XLogP15.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine 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

4-(4-carbazol-9-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 155249389
9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 121258006
9-[3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 58971549
2-(2-phenylphenyl)-9-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 135143807
3-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548563
4-(4-carbazol-9-ylphenyl)-6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249601
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
17-[4-[4,6-bis(3,5-dimethylphenyl)pyrimidin-2-yl]phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 166584354
3-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;3-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 158712117
3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine
CID 157389008
3-[10-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 138599940
2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 158710301

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine (CID 146549089) is 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine is c1ccc(-c2nc(-c3ccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)cc3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is BANPOWSGFRWCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N4/c1-4-17-39(18-5-1)46-27-15-29-50-56(46)51-30-16-28-47(58(51)62-57(50)42-19-6-2-7-20-42)40-33-35-41(36-34-40)52-38-53(61-59(60-52)43-21-8-3-9-22-43)44-23-14-24-45(37-44)63-54-31-12-10-25-48(54)49-26-11-13-32-55(49)63/h1-38H.
What are the key properties of 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine?
4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 802.98 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146549089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).