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

C86H54N8 — CID 58943683

IUPAC9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)cc2)cc1
InChIInChI=1S/C86H54N8/c1-2-20-55(21-3-1)56-38-40-57(41-39-56)62-50-63(58-42-46-60(47-43-58)73-53-83(91-75-30-12-4-22-65(75)66-23-5-13-31-76(66)91)89-85(87-73)93-79-34-16-8-26-69(79)70-27-9-17-35-80(70)93)52-64(51-62)59-44-48-61(49-45-59)74-54-84(92-77-32-14-6-24-67(77)68-25-7-15-33-78(68)92)90-86(88-74)94-81-36-18-10-28-71(81)72-29-11-19-37-82(72)94/h1-54H
InChIKeyFHOZATXGKRVEQM-UHFFFAOYSA-N
MW1199.43 g/mol
LogP21.66
Rot. Bonds10

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

9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole (PubChem CID 58943683) has the molecular formula C86H54N8 and a molecular weight of 1199.43 g/mol. Its IUPAC name is 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
PubChem CID58943683
Molecular FormulaC86H54N8
Molecular Weight1199.43 g/mol
Exact Mass1198.45
IUPAC Name9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)cc2)cc1
InChIInChI=1S/C86H54N8/c1-2-20-55(21-3-1)56-38-40-57(41-39-56)62-50-63(58-42-46-60(47-43-58)73-53-83(91-75-30-12-4-22-65(75)66-23-5-13-31-76(66)91)89-85(87-73)93-79-34-16-8-26-69(79)70-27-9-17-35-80(70)93)52-64(51-62)59-44-48-61(49-45-59)74-54-84(92-77-32-14-6-24-67(77)68-25-7-15-33-78(68)92)90-86(88-74)94-81-36-18-10-28-71(81)72-29-11-19-37-82(72)94/h1-54H
InChIKeyFHOZATXGKRVEQM-UHFFFAOYSA-N
XLogP21.66
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001199.43
LogP ≤ 521.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[2-carbazol-9-yl-6-[3-[3-[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-phenylphenyl]phenyl]pyrimidin-4-yl]carbazole
CID 58943440
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-3-[9-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]carbazol-3-yl]carbazole
CID 126700362
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[6-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 163788873
3-[9-[2-phenyl-6-[3-[4-[4-[3-[6-phenyl-2-[3-[9-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 137445193
9-[2-carbazol-9-yl-6-(2,4-diphenylphenyl)pyrimidin-4-yl]carbazole
CID 169021296
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
[3-[6-carbazol-9-yl-2-(3-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
CID 169031856
9-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]carbazole;9-[6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 160561828
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-triphenylgermane
CID 170681775

Frequently Asked Questions

What is the IUPAC name of 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole (CID 58943683) is 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)cc(-c4ccc(-c5cc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)cc4)c3)cc2)cc1.
What is the InChIKey of 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole?
The InChIKey is FHOZATXGKRVEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H54N8/c1-2-20-55(21-3-1)56-38-40-57(41-39-56)62-50-63(58-42-46-60(47-43-58)73-53-83(91-75-30-12-4-22-65(75)66-23-5-13-31-76(66)91)89-85(87-73)93-79-34-16-8-26-69(79)70-27-9-17-35-80(70)93)52-64(51-62)59-44-48-61(49-45-59)74-54-84(92-77-32-14-6-24-67(77)68-25-7-15-33-78(68)92)90-86(88-74)94-81-36-18-10-28-71(81)72-29-11-19-37-82(72)94/h1-54H.
What are the key properties of 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole?
9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole has a molecular weight of 1199.43 g/mol, XLogP of 21.66, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-carbazol-9-yl-6-[4-[3-[4-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]carbazole is sourced from PubChem (CID 58943683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).