6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine

C47H31N3 — CID 142551237

IUPAC6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c2C3)cc1
InChIInChI=1S/C47H31N3/c1-3-12-34(13-4-1)45-42-30-41-37(18-11-19-40(41)46(42)49-47(48-45)35-14-5-2-6-15-35)33-24-22-31(23-25-33)32-26-28-36(29-27-32)50-43-20-9-7-16-38(43)39-17-8-10-21-44(39)50/h1-29H,30H2
InChIKeyORUDKOQHNWMGEY-UHFFFAOYSA-N
MW637.79 g/mol
LogP11.81
Rot. Bonds5

About 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine

6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine (PubChem CID 142551237) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
PubChem CID142551237
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c2C3)cc1
InChIInChI=1S/C47H31N3/c1-3-12-34(13-4-1)45-42-30-41-37(18-11-19-40(41)46(42)49-47(48-45)35-14-5-2-6-15-35)33-24-22-31(23-25-33)32-26-28-36(29-27-32)50-43-20-9-7-16-38(43)39-17-8-10-21-44(39)50/h1-29H,30H2
InChIKeyORUDKOQHNWMGEY-UHFFFAOYSA-N
XLogP11.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 142551254
9-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 155140501
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-(8-phenyl-9H-fluoren-1-yl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134488216
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551081
12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466261
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
9-[4-[2-methyl-3-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 142551202

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine (CID 142551237) is 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cccc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c2C3)cc1.
What is the InChIKey of 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
The InChIKey is ORUDKOQHNWMGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-3-12-34(13-4-1)45-42-30-41-37(18-11-19-40(41)46(42)49-47(48-45)35-14-5-2-6-15-35)33-24-22-31(23-25-33)32-26-28-36(29-27-32)50-43-20-9-7-16-38(43)39-17-8-10-21-44(39)50/h1-29H,30H2.
What are the key properties of 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine?
6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine has a molecular weight of 637.79 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 142551237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).