9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole

C54H33N9 — CID 135130886

IUPAC9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1c(-c2ccncn2)c(-c2ccncn2)c(-c2ccncn2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C54H33N9/c1-7-19-43-34(13-1)35-14-2-8-20-44(35)61(43)52-50(41-26-29-56-32-59-41)49(40-25-28-55-31-58-40)51(42-27-30-57-33-60-42)53(62-45-21-9-3-15-36(45)37-16-4-10-22-46(37)62)54(52)63-47-23-11-5-17-38(47)39-18-6-12-24-48(39)63/h1-33H
InChIKeyWONCQZRUVUTKKC-UHFFFAOYSA-N
MW807.92 g/mol
LogP12.35
Rot. Bonds6

About 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole

9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole (PubChem CID 135130886) has the molecular formula C54H33N9 and a molecular weight of 807.92 g/mol. Its IUPAC name is 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole
PubChem CID135130886
Molecular FormulaC54H33N9
Molecular Weight807.92 g/mol
Exact Mass807.29
IUPAC Name9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1c(-c2ccncn2)c(-c2ccncn2)c(-c2ccncn2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C54H33N9/c1-7-19-43-34(13-1)35-14-2-8-20-44(35)61(43)52-50(41-26-29-56-32-59-41)49(40-25-28-55-31-58-40)51(42-27-30-57-33-60-42)53(62-45-21-9-3-15-36(45)37-16-4-10-22-46(37)62)54(52)63-47-23-11-5-17-38(47)39-18-6-12-24-48(39)63/h1-33H
InChIKeyWONCQZRUVUTKKC-UHFFFAOYSA-N
XLogP12.35
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.92
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 135136225
9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422929
3-isocyano-5-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-(3-cyano-5-isocyanophenyl)phenyl]benzonitrile;2-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-pyrazin-2-ylphenyl]pyrazine;4-[2,3,5,6-tetrakis(4-tert-butylphenyl)-4-pyrimidin-4-ylphenyl]pyrimidine;5-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyanopyrazin-2-yl)phenyl]pyrazine-2-carbonitrile
CID 157362938
9-[2,3-di(carbazol-9-yl)-4,6-di(pyrimidin-2-yl)phenyl]carbazole
CID 135130975
9-[4-[2-phenyl-6-(2-pyrimidin-4-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 121422816
9-[2,3,4,5-tetra(carbazol-9-yl)-6-methylphenyl]carbazole
CID 147406745
11,12-bis(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 58038296
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-pyridin-3-yl-4,5,6-tris(pyrido[3,4-b]indol-9-yl)phenyl]pyrido[3,4-b]indole
CID 151746168
2,9-bis(pyrido[2,3-b]indol-9-yl)-4-pyrimidin-4-ylpyrido[3,2-h]quinazoline
CID 164779937
9-(2-carbazol-9-yl-4,6-dipyridin-2-ylpyrimidin-5-yl)carbazole
CID 145186124

Frequently Asked Questions

What is the IUPAC name of 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole (CID 135130886) is 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole is c1ccc2c(c1)c1ccccc1n2-c1c(-c2ccncn2)c(-c2ccncn2)c(-c2ccncn2)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole?
The InChIKey is WONCQZRUVUTKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N9/c1-7-19-43-34(13-1)35-14-2-8-20-44(35)61(43)52-50(41-26-29-56-32-59-41)49(40-25-28-55-31-58-40)51(42-27-30-57-33-60-42)53(62-45-21-9-3-15-36(45)37-16-4-10-22-46(37)62)54(52)63-47-23-11-5-17-38(47)39-18-6-12-24-48(39)63/h1-33H.
What are the key properties of 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole?
9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole has a molecular weight of 807.92 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3-di(carbazol-9-yl)-4,5,6-tri(pyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 135130886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).