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

C53H35N3 — CID 142551081

IUPAC2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3Cc3cccc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c3-4)cc2)cc1
InChIInChI=1S/C53H35N3/c1-4-14-35(15-5-1)36-26-28-37(29-27-36)51-47-33-42-20-13-24-44(50(42)52(47)55-53(54-51)38-16-6-2-7-17-38)41-19-12-18-39(32-41)40-30-31-46-45-23-10-11-25-48(45)56(49(46)34-40)43-21-8-3-9-22-43/h1-32,34H,33H2
InChIKeyVGMWGSPNABTCBM-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.48
Rot. Bonds6

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

2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine (PubChem CID 142551081) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
PubChem CID142551081
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3Cc3cccc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c3-4)cc2)cc1
InChIInChI=1S/C53H35N3/c1-4-14-35(15-5-1)36-26-28-37(29-27-36)51-47-33-42-20-13-24-44(50(42)52(47)55-53(54-51)38-16-6-2-7-17-38)41-19-12-18-39(32-41)40-30-31-46-45-23-10-11-25-48(45)56(49(46)34-40)43-21-8-3-9-22-43/h1-32,34H,33H2
InChIKeyVGMWGSPNABTCBM-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

3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
2,4-diphenyl-8-[4-(9-phenylcarbazol-4-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 142551254
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
2-phenyl-7-[3-(9-phenylcarbazol-4-yl)phenyl]-4-(3-phenylphenyl)-5H-indeno[1,2-d]pyrimidine
CID 142551063
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
6-[4-(4-carbazol-9-ylphenyl)phenyl]-2,4-diphenyl-5H-indeno[1,2-d]pyrimidine
CID 142551237
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
2-(3-carbazol-9-ylphenyl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 145151686

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine (CID 142551081) is 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3Cc3cccc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)c3-4)cc2)cc1.
What is the InChIKey of 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
The InChIKey is VGMWGSPNABTCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-4-14-35(15-5-1)36-26-28-37(29-27-36)51-47-33-42-20-13-24-44(50(42)52(47)55-53(54-51)38-16-6-2-7-17-38)41-19-12-18-39(32-41)40-30-31-46-45-23-10-11-25-48(45)56(49(46)34-40)43-21-8-3-9-22-43/h1-32,34H,33H2.
What are the key properties of 2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine?
2-phenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-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-9-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 142551081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).