9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole

C81H52F2N6 — CID 158229713

IUPAC9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
SMILESCc1c(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)ccc(-c2cc(F)cc(F)c2)c1-n1c2cc(-c3cccc(-c4ccccc4)n3)ccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C81H52F2N6/c1-51-76(88-77-46-56(72-30-14-26-68(84-72)52-18-6-2-7-19-52)34-38-64(77)65-39-35-57(47-78(65)88)73-31-15-27-69(85-73)53-20-8-3-9-21-53)43-42-63(60-44-61(82)50-62(83)45-60)81(51)89-79-48-58(74-32-16-28-70(86-74)54-22-10-4-11-23-54)36-40-66(79)67-41-37-59(49-80(67)89)75-33-17-29-71(87-75)55-24-12-5-13-25-55/h2-50H,1H3
InChIKeyYMHCMNNBEUTNGA-UHFFFAOYSA-N
MW1147.35 g/mol
LogP21.05
Rot. Bonds11

About 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole

9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole (PubChem CID 158229713) has the molecular formula C81H52F2N6 and a molecular weight of 1147.35 g/mol. Its IUPAC name is 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
PubChem CID158229713
Molecular FormulaC81H52F2N6
Molecular Weight1147.35 g/mol
Exact Mass1146.42
IUPAC Name9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
SMILESCc1c(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)ccc(-c2cc(F)cc(F)c2)c1-n1c2cc(-c3cccc(-c4ccccc4)n3)ccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21
InChIInChI=1S/C81H52F2N6/c1-51-76(88-77-46-56(72-30-14-26-68(84-72)52-18-6-2-7-19-52)34-38-64(77)65-39-35-57(47-78(65)88)73-31-15-27-69(85-73)53-20-8-3-9-21-53)43-42-63(60-44-61(82)50-62(83)45-60)81(51)89-79-48-58(74-32-16-28-70(86-74)54-22-10-4-11-23-54)36-40-66(79)67-41-37-59(49-80(67)89)75-33-17-29-71(87-75)55-24-12-5-13-25-55/h2-50H,1H3
InChIKeyYMHCMNNBEUTNGA-UHFFFAOYSA-N
XLogP21.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.35
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(3,5-difluorophenyl)-2-methyl-3-(3-pyrimidin-2-ylcarbazol-9-yl)phenyl]-3-pyrimidin-2-ylcarbazole
CID 159302244
5-[3-[3-[6-[9-[4-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-(3,5-difluorophenyl)phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-2-phenyl-3-pyridinyl]-5-phenylphenyl]carbazol-9-yl]-4-(3,5-difluorophenyl)-2-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959912
2,7-di(carbazol-9-yl)-9-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;methane;9-[2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-3-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazole
CID 162161860
9-[2-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole
CID 137369013
3-[2,4-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-methylphenyl]benzonitrile
CID 161450405
5,11-dimethyl-3,9-bis(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 152999600
3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 155427570
9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3,5-difluorophenyl)-5-methylphenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
CID 160834104
2,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 154959693
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole
CID 137369276
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-diphenylcarbazole
CID 137369097
2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol
CID 175157618

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
The IUPAC name of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole (CID 158229713) is 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole.
What is the SMILES notation for 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
The canonical SMILES for 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole is Cc1c(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)ccc(-c2cc(F)cc(F)c2)c1-n1c2cc(-c3cccc(-c4ccccc4)n3)ccc2c2ccc(-c3cccc(-c4ccccc4)n3)cc21.
What is the InChIKey of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
The InChIKey is YMHCMNNBEUTNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52F2N6/c1-51-76(88-77-46-56(72-30-14-26-68(84-72)52-18-6-2-7-19-52)34-38-64(77)65-39-35-57(47-78(65)88)73-31-15-27-69(85-73)53-20-8-3-9-21-53)43-42-63(60-44-61(82)50-62(83)45-60)81(51)89-79-48-58(74-32-16-28-70(86-74)54-22-10-4-11-23-54)36-40-66(79)67-41-37-59(49-80(67)89)75-33-17-29-71(87-75)55-24-12-5-13-25-55/h2-50H,1H3.
What are the key properties of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole?
9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole has a molecular weight of 1147.35 g/mol, XLogP of 21.05, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)-2-methylphenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158229713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).