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

C81H52F2N6 — CID 162045980

IUPAC9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole
SMILESCc1cc(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)cc1-c1c(F)cccc1F
InChIInChI=1S/C81H52F2N6/c1-51-41-79(88-75-37-29-56(60-25-33-71(84-47-60)52-15-6-2-7-16-52)42-65(75)66-43-57(30-38-76(66)88)61-26-34-72(85-48-61)53-17-8-3-9-18-53)80(46-64(51)81-69(82)23-14-24-70(81)83)89-77-39-31-58(62-27-35-73(86-49-62)54-19-10-4-11-20-54)44-67(77)68-45-59(32-40-78(68)89)63-28-36-74(87-50-63)55-21-12-5-13-22-55/h2-50H,1H3
InChIKeyVJHNYRQFLDNNHW-UHFFFAOYSA-N
MW1147.35 g/mol
LogP21.05
Rot. Bonds11

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

9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole (PubChem CID 162045980) has the molecular formula C81H52F2N6 and a molecular weight of 1147.35 g/mol. Its IUPAC name is 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole
PubChem CID162045980
Molecular FormulaC81H52F2N6
Molecular Weight1147.35 g/mol
Exact Mass1146.42
IUPAC Name9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole
SMILESCc1cc(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)cc1-c1c(F)cccc1F
InChIInChI=1S/C81H52F2N6/c1-51-41-79(88-75-37-29-56(60-25-33-71(84-47-60)52-15-6-2-7-16-52)42-65(75)66-43-57(30-38-76(66)88)61-26-34-72(85-48-61)53-17-8-3-9-18-53)80(46-64(51)81-69(82)23-14-24-70(81)83)89-77-39-31-58(62-27-35-73(86-49-62)54-19-10-4-11-20-54)44-67(77)68-45-59(32-40-78(68)89)63-28-36-74(87-50-63)55-21-12-5-13-22-55/h2-50H,1H3
InChIKeyVJHNYRQFLDNNHW-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

2-(2,6-difluorophenyl)-4,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 154959933
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
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
CID 154960852
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146520059
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile
CID 155646657
9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
CID 162571794
4-[3-[4-carbazol-9-yl-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164744045
9-[2-[2,6-bis(trifluoromethyl)phenyl]-5-methyl-4-[3-(2-phenyl-4-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-4-pyridinyl)carbazole
CID 146520039
9-[2-(2,3,4,5,6-pentafluorophenyl)-3-[3-[5-[5-[9-[2-(2,3,4,5,6-pentafluorophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]carbazol-2-yl]-2-phenyl-3-pyridinyl]-6-phenyl-3-pyridinyl]carbazol-9-yl]-5-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
CID 163489371
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
4-[2-methyl-6-(trifluoromethyl)phenyl]-2,6-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 162110068

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole (CID 162045980) is 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole is Cc1cc(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)c(-n2c3ccc(-c4ccc(-c5ccccc5)nc4)cc3c3cc(-c4ccc(-c5ccccc5)nc4)ccc32)cc1-c1c(F)cccc1F.
What is the InChIKey of 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
The InChIKey is VJHNYRQFLDNNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52F2N6/c1-51-41-79(88-75-37-29-56(60-25-33-71(84-47-60)52-15-6-2-7-16-52)42-65(75)66-43-57(30-38-76(66)88)61-26-34-72(85-48-61)53-17-8-3-9-18-53)80(46-64(51)81-69(82)23-14-24-70(81)83)89-77-39-31-58(62-27-35-73(86-49-62)54-19-10-4-11-20-54)44-67(77)68-45-59(32-40-78(68)89)63-28-36-74(87-50-63)55-21-12-5-13-22-55/h2-50H,1H3.
What are the key properties of 9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole?
9-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-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-[2-[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 162045980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).