9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

C145H98N10 — CID 163491077

IUPAC9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/2C52H34N4.C41H30N2/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-17-35(18-4-1)40-21-7-8-22-41(40)47-34-46(53-52(54-47)36-19-5-2-6-20-36)37-31-38(55-48-27-13-9-23-42(48)43-24-10-14-28-49(43)55)33-39(32-37)56-50-29-15-11-25-44(50)45-26-12-16-30-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h2*1-34H;3-27H,2H2,1H3
InChIKeyCMRHIFFTTKAUOE-UHFFFAOYSA-N
MW1980.45 g/mol
LogP37.57
Rot. Bonds17

About 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole

9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (PubChem CID 163491077) has the molecular formula C145H98N10 and a molecular weight of 1980.45 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
PubChem CID163491077
Molecular FormulaC145H98N10
Molecular Weight1980.45 g/mol
Exact Mass1978.80
IUPAC Name9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3-c3ccccc3)n2)cc1
InChIInChI=1S/2C52H34N4.C41H30N2/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-17-35(18-4-1)40-21-7-8-22-41(40)47-34-46(53-52(54-47)36-19-5-2-6-20-36)37-31-38(55-48-27-13-9-23-42(48)43-24-10-14-28-49(43)55)33-39(32-37)56-50-29-15-11-25-44(50)45-26-12-16-30-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h2*1-34H;3-27H,2H2,1H3
InChIKeyCMRHIFFTTKAUOE-UHFFFAOYSA-N
XLogP37.57
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms155
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001980.45
LogP ≤ 537.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 159819873
1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane
CID 158744095
9-[carbazol-9-yl-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]methyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 158119112
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 160637749
2-ethyl-1-[3-phenanthren-9-yl-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzimidazole
CID 176622558
2-ethyl-1-[4-[10-phenyl-2-(3-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166043045
1-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]-2-ethylbenzimidazole
CID 139394595
1-[4-[3,10-bis(4-phenylphenyl)anthracen-9-yl]phenyl]-2-ethylbenzimidazole;2-ethyl-1-[4-(10-naphthalen-1-yl-3-naphthalen-2-ylanthracen-9-yl)phenyl]benzimidazole;2-ethyl-1-[4-[3-(2-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;2-ethyl-1-[4-[3-(3-phenylphenyl)-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 167535306
2-ethyl-1-[4-[3-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 166042959
2-ethyl-1-[3-phenanthren-9-yl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]benzimidazole
CID 176622597
2-ethyl-1-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]benzimidazole
CID 166043047
2-ethyl-1-[4-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]phenyl]benzimidazole
CID 166043163

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole (CID 163491077) is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc(-c3ccccc3-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
The InChIKey is CMRHIFFTTKAUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N4.C41H30N2/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;1-3-17-35(18-4-1)40-21-7-8-22-41(40)47-34-46(53-52(54-47)36-19-5-2-6-20-36)37-31-38(55-48-27-13-9-23-42(48)43-24-10-14-28-49(43)55)33-39(32-37)56-50-29-15-11-25-44(50)45-26-12-16-30-51(45)56;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28/h2*1-34H;3-27H,2H2,1H3.
What are the key properties of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole?
9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole has a molecular weight of 1980.45 g/mol, XLogP of 37.57, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 163491077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).