12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole

C53H35N3 — CID 126580433

IUPAC12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c(c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)n3)c2)cc1
InChIInChI=1S/C53H35N3/c1-5-18-36(19-6-1)38-22-17-23-39(34-38)48-35-47(37-20-7-2-8-21-37)54-52(55-48)56-49-31-16-14-29-43(49)45-33-32-44-42-28-13-15-30-46(42)53(50(44)51(45)56,40-24-9-3-10-25-40)41-26-11-4-12-27-41/h1-35H
InChIKeyZZKJCPFYYBDQME-UHFFFAOYSA-N
MW713.88 g/mol
LogP12.94
Rot. Bonds6

About 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole

12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole (PubChem CID 126580433) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole
PubChem CID126580433
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c(c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)n3)c2)cc1
InChIInChI=1S/C53H35N3/c1-5-18-36(19-6-1)38-22-17-23-39(34-38)48-35-47(37-20-7-2-8-21-37)54-52(55-48)56-49-31-16-14-29-43(49)45-33-32-44-42-28-13-15-30-46(42)53(50(44)51(45)56,40-24-9-3-10-25-40)41-26-11-4-12-27-41/h1-35H
InChIKeyZZKJCPFYYBDQME-UHFFFAOYSA-N
XLogP12.94
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 ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
CID 58142117
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 158116203
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 161266285
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 129312019
3-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]spiro[3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene-24,9'-fluorene]
CID 138731734
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
CID 131973034
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 159275309
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[1,2-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,11,11-triphenylindeno[1,2-b]carbazole
CID 159156931
2'-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146577084

Frequently Asked Questions

What is the IUPAC name of 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole (CID 126580433) is 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c(c54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)n3)c2)cc1.
What is the InChIKey of 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole?
The InChIKey is ZZKJCPFYYBDQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-5-18-36(19-6-1)38-22-17-23-39(34-38)48-35-47(37-20-7-2-8-21-37)54-52(55-48)56-49-31-16-14-29-43(49)45-33-32-44-42-28-13-15-30-46(42)53(50(44)51(45)56,40-24-9-3-10-25-40)41-26-11-4-12-27-41/h1-35H.
What are the key properties of 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole?
12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole has a molecular weight of 713.88 g/mol, XLogP of 12.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole is sourced from PubChem (CID 126580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).