5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine

C52H34N4 — CID 118100123

IUPAC5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6ccncc6)cc5)nc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C52H34N4/c1-4-14-39(15-5-1)52(40-16-6-2-7-17-40)45-22-12-10-21-43(45)50-48(52)49(54-51(55-50)37-26-24-35(25-27-37)36-30-32-53-33-31-36)38-28-29-47-44(34-38)42-20-11-13-23-46(42)56(47)41-18-8-3-9-19-41/h1-34H
InChIKeyJTWGQDBVMKFJQB-UHFFFAOYSA-N
MW714.87 g/mol
LogP12.33
Rot. Bonds6

About 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine

5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine (PubChem CID 118100123) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
PubChem CID118100123
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6ccncc6)cc5)nc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C52H34N4/c1-4-14-39(15-5-1)52(40-16-6-2-7-17-40)45-22-12-10-21-43(45)50-48(52)49(54-51(55-50)37-26-24-35(25-27-37)36-30-32-53-33-31-36)38-28-29-47-44(34-38)42-20-11-13-23-46(42)56(47)41-18-8-3-9-19-41/h1-34H
InChIKeyJTWGQDBVMKFJQB-UHFFFAOYSA-N
XLogP12.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine with MolForge

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Related Compounds

2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168
4'-(4-carbazol-9-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine]
CID 118527794
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
9-phenyl-3-[4-[4-(2-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164843478
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
CID 166034115
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10,10-triphenylindeno[1,2-b]indole
CID 90296256
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 118698991
2-(4-dibenzothiophen-4-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100174

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine?
The IUPAC name of 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine (CID 118100123) is 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine.
What is the SMILES notation for 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine?
The canonical SMILES for 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine is c1ccc(-n2c3ccccc3c3cc(-c4nc(-c5ccc(-c6ccncc6)cc5)nc5c4C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine?
The InChIKey is JTWGQDBVMKFJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-14-39(15-5-1)52(40-16-6-2-7-17-40)45-22-12-10-21-43(45)50-48(52)49(54-51(55-50)37-26-24-35(25-27-37)36-30-32-53-33-31-36)38-28-29-47-44(34-38)42-20-11-13-23-46(42)56(47)41-18-8-3-9-19-41/h1-34H.
What are the key properties of 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine?
5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine has a molecular weight of 714.87 g/mol, XLogP of 12.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-4-(9-phenylcarbazol-3-yl)-2-(4-pyridin-4-ylphenyl)indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118100123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).