9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole

C90H58N8 — CID 152615807

IUPAC9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)n5)ccc3n4-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-n4c5ccc(-c6cccc(-c7ccccc7)n6)cc5c5cc(-c6cccc(-c7ccccc7)n6)ccc54)c3)n2)cc1
InChIInChI=1S/C90H58N8/c1-7-23-59(24-8-1)76-35-19-39-80(91-76)65-43-47-86-72(53-65)73-54-66(81-40-20-36-77(92-81)60-25-9-2-10-26-60)44-48-87(73)97(86)70-51-69(90-95-84(63-31-15-5-16-32-63)58-85(96-90)64-33-17-6-18-34-64)52-71(57-70)98-88-49-45-67(82-41-21-37-78(93-82)61-27-11-3-12-28-61)55-74(88)75-56-68(46-50-89(75)98)83-42-22-38-79(94-83)62-29-13-4-14-30-62/h1-58H
InChIKeyZAMAOVXVHJUEET-UHFFFAOYSA-N
MW1251.51 g/mol
LogP22.59
Rot. Bonds13

About 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole

9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole (PubChem CID 152615807) has the molecular formula C90H58N8 and a molecular weight of 1251.51 g/mol. Its IUPAC name is 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
PubChem CID152615807
Molecular FormulaC90H58N8
Molecular Weight1251.51 g/mol
Exact Mass1250.48
IUPAC Name9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)n5)ccc3n4-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-n4c5ccc(-c6cccc(-c7ccccc7)n6)cc5c5cc(-c6cccc(-c7ccccc7)n6)ccc54)c3)n2)cc1
InChIInChI=1S/C90H58N8/c1-7-23-59(24-8-1)76-35-19-39-80(91-76)65-43-47-86-72(53-65)73-54-66(81-40-20-36-77(92-81)60-25-9-2-10-26-60)44-48-87(73)97(86)70-51-69(90-95-84(63-31-15-5-16-32-63)58-85(96-90)64-33-17-6-18-34-64)52-71(57-70)98-88-49-45-67(82-41-21-37-78(93-82)61-27-11-3-12-28-61)55-74(88)75-56-68(46-50-89(75)98)83-42-22-38-79(94-83)62-29-13-4-14-30-62/h1-58H
InChIKeyZAMAOVXVHJUEET-UHFFFAOYSA-N
XLogP22.59
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.51
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole with MolForge

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Related Compounds

3-[9-[3-carbazol-9-yl-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-[3-carbazol-9-yl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]carbazole
CID 155380099
9-[3-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole
CID 88530509
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
3-[9-[3-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]carbazol-3-yl]-9-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 145309043
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
9-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2-methylphenyl)carbazole
CID 151218968
9-[3-carbazol-9-yl-5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenylcarbazole
CID 171763921
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 157469186
9-(3-carbazol-9-ylphenyl)-3-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole;9-(3-carbazol-9-ylphenyl)-3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-(3-carbazol-9-ylphenyl)-3-[6-[6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 157365272
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
9-(3-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-carbazol-9-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 158945712

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole (CID 152615807) is 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole is c1ccc(-c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(-c6ccccc6)n5)ccc3n4-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-n4c5ccc(-c6cccc(-c7ccccc7)n6)cc5c5cc(-c6cccc(-c7ccccc7)n6)ccc54)c3)n2)cc1.
What is the InChIKey of 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
The InChIKey is ZAMAOVXVHJUEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H58N8/c1-7-23-59(24-8-1)76-35-19-39-80(91-76)65-43-47-86-72(53-65)73-54-66(81-40-20-36-77(92-81)60-25-9-2-10-26-60)44-48-87(73)97(86)70-51-69(90-95-84(63-31-15-5-16-32-63)58-85(96-90)64-33-17-6-18-34-64)52-71(57-70)98-88-49-45-67(82-41-21-37-78(93-82)61-27-11-3-12-28-61)55-74(88)75-56-68(46-50-89(75)98)83-42-22-38-79(94-83)62-29-13-4-14-30-62/h1-58H.
What are the key properties of 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole?
9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1251.51 g/mol, XLogP of 22.59, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 152615807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).