2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine

C53H35N3 — CID 142551063

IUPAC2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3Cc3cc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)ccc3-4)c2)cc1
InChIInChI=1S/C53H35N3/c1-4-15-35(16-5-1)37-19-13-22-41(32-37)51-47-34-42-33-39(29-30-45(42)52(47)55-53(54-51)36-17-6-2-7-18-36)38-20-12-21-40(31-38)44-26-14-28-49-50(44)46-25-10-11-27-48(46)56(49)43-23-8-3-9-24-43/h1-33H,34H2
InChIKeyZNETYWWPKNHAMY-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.48
Rot. Bonds6

About 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine

2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine (PubChem CID 142551063) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
PubChem CID142551063
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3Cc3cc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)ccc3-4)c2)cc1
InChIInChI=1S/C53H35N3/c1-4-15-35(16-5-1)37-19-13-22-41(32-37)51-47-34-42-33-39(29-30-45(42)52(47)55-53(54-51)36-17-6-2-7-18-36)38-20-12-21-40(31-38)44-26-14-28-49-50(44)46-25-10-11-27-48(46)56(49)43-23-8-3-9-24-43/h1-33H,34H2
InChIKeyZNETYWWPKNHAMY-UHFFFAOYSA-N
XLogP13.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.48
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
7-(3-carbazol-9-ylphenyl)-4-naphthalen-1-yl-2-phenyl-5H-indeno[1,2-d]pyrimidine
CID 142550922
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551081
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164843456
2-phenyl-6-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606257
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
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine (CID 142551063) is 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3Cc3cc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)ccc3-4)c2)cc1.
What is the InChIKey of 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
The InChIKey is ZNETYWWPKNHAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-4-15-35(16-5-1)37-19-13-22-41(32-37)51-47-34-42-33-39(29-30-45(42)52(47)55-53(54-51)36-17-6-2-7-18-36)38-20-12-21-40(31-38)44-26-14-28-49-50(44)46-25-10-11-27-48(46)56(49)43-23-8-3-9-24-43/h1-33H,34H2.
What are the key properties of 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine has a molecular weight of 713.88 g/mol, XLogP of 13.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 142551063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).