9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole

C52H36N4 — CID 168812688

IUPAC9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
SMILESC1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)NC(c2ccc(-c3ccccc3)cc2)=NC1c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C52H36N4/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)52-53-46(37-26-30-40(31-27-37)55-48-18-8-4-14-42(48)43-15-5-9-19-49(43)55)34-47(54-52)38-28-32-41(33-29-38)56-50-20-10-6-16-44(50)45-17-7-11-21-51(45)56/h1-34,46H,(H,53,54)
InChIKeyGVOXAHBFKNOWPI-UHFFFAOYSA-N
MW716.89 g/mol
LogP12.68
Rot. Bonds6

About 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole

9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole (PubChem CID 168812688) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
PubChem CID168812688
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole
SMILESC1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)NC(c2ccc(-c3ccccc3)cc2)=NC1c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C52H36N4/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)52-53-46(37-26-30-40(31-27-37)55-48-18-8-4-14-42(48)43-15-5-9-19-49(43)55)34-47(54-52)38-28-32-41(33-29-38)56-50-20-10-6-16-44(50)45-17-7-11-21-51(45)56/h1-34,46H,(H,53,54)
InChIKeyGVOXAHBFKNOWPI-UHFFFAOYSA-N
XLogP12.68
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 512.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
CID 123838452
3-[4-[6-(3-carbazol-9-ylphenyl)-2-phenyl-1,4-dihydropyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 163798768
5-phenyl-12-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 162363414
3-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)carbazol-3-yl]-9-pyridin-4-ylcarbazole
CID 121420530
9-[3-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
CID 129305340
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
CID 163983401
6-bromo-2-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidine
CID 134559695
9-[9-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)dibenzofuran-4-yl]carbazole
CID 166670199
9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole (CID 168812688) is 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole is C1=C(c2ccc(-n3c4ccccc4c4ccccc43)cc2)NC(c2ccc(-c3ccccc3)cc2)=NC1c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole?
The InChIKey is GVOXAHBFKNOWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-2-12-35(13-3-1)36-22-24-39(25-23-36)52-53-46(37-26-30-40(31-27-37)55-48-18-8-4-14-42(48)43-15-5-9-19-49(43)55)34-47(54-52)38-28-32-41(33-29-38)56-50-20-10-6-16-44(50)45-17-7-11-21-51(45)56/h1-34,46H,(H,53,54).
What are the key properties of 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole?
9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole has a molecular weight of 716.89 g/mol, XLogP of 12.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4-carbazol-9-ylphenyl)-2-(4-phenylphenyl)-1,4-dihydropyrimidin-6-yl]phenyl]carbazole is sourced from PubChem (CID 168812688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).