2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine

C47H31N3 — CID 142551254

IUPAC2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)ccc2C3)cc1
InChIInChI=1S/C47H31N3/c1-4-13-33(14-5-1)45-41-30-36-28-27-35(29-40(36)46(41)49-47(48-45)34-15-6-2-7-16-34)31-23-25-32(26-24-31)38-20-12-22-43-44(38)39-19-10-11-21-42(39)50(43)37-17-8-3-9-18-37/h1-29H,30H2
InChIKeyWYILGLRGVOXWKN-UHFFFAOYSA-N
MW637.79 g/mol
LogP11.81
Rot. Bonds5

About 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine

2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine (PubChem CID 142551254) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
PubChem CID142551254
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)ccc2C3)cc1
InChIInChI=1S/C47H31N3/c1-4-13-33(14-5-1)45-41-30-36-28-27-35(29-40(36)46(41)49-47(48-45)34-15-6-2-7-16-34)31-23-25-32(26-24-31)38-20-12-22-43-44(38)39-19-10-11-21-42(39)50(43)37-17-8-3-9-18-37/h1-29H,30H2
InChIKeyWYILGLRGVOXWKN-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-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551063
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
CID 142551237
9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165151261
2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551081
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164843456
9-[4-[4-[3-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[4-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;4-[3-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole;9-[5-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole;9-[4-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole;9-[4-[4-[4-carbazol-9-yl-3-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole
CID 157377595
7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine
CID 142550922
2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine
CID 158005802
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine (CID 142551254) is 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)ccc2C3)cc1.
What is the InChIKey of 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
The InChIKey is WYILGLRGVOXWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-4-13-33(14-5-1)45-41-30-36-28-27-35(29-40(36)46(41)49-47(48-45)34-15-6-2-7-16-34)31-23-25-32(26-24-31)38-20-12-22-43-44(38)39-19-10-11-21-42(39)50(43)37-17-8-3-9-18-37/h1-29H,30H2.
What are the key properties of 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine?
2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-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 2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 142551254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).