5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile

C88H52F3N7 — CID 118259457

IUPAC5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-c3ccc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)ccc1C(F)(F)F
InChIInChI=1S/C88H52F3N7/c89-88(90,91)76-40-32-61(46-63(76)53-92)78-52-77(93-87(94-78)55-30-37-66(38-31-55)97-81-25-13-9-21-70(81)74-50-58(35-43-85(74)97)56-33-41-83-72(48-56)68-19-7-11-23-79(68)95(83)64-15-3-1-4-16-64)60-28-27-54-29-39-67(47-62(54)45-60)98-82-26-14-10-22-71(82)75-51-59(36-44-86(75)98)57-34-42-84-73(49-57)69-20-8-12-24-80(69)96(84)65-17-5-2-6-18-65/h1-52H
InChIKeyCKWIGDNSFBWCQD-UHFFFAOYSA-N
MW1264.43 g/mol
LogP23.24
Rot. Bonds9

About 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile

5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile (PubChem CID 118259457) has the molecular formula C88H52F3N7 and a molecular weight of 1264.43 g/mol. Its IUPAC name is 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile
PubChem CID118259457
Molecular FormulaC88H52F3N7
Molecular Weight1264.43 g/mol
Exact Mass1263.42
IUPAC Name5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-c3ccc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)ccc1C(F)(F)F
InChIInChI=1S/C88H52F3N7/c89-88(90,91)76-40-32-61(46-63(76)53-92)78-52-77(93-87(94-78)55-30-37-66(38-31-55)97-81-25-13-9-21-70(81)74-50-58(35-43-85(74)97)56-33-41-83-72(48-56)68-19-7-11-23-79(68)95(83)64-15-3-1-4-16-64)60-28-27-54-29-39-67(47-62(54)45-60)98-82-26-14-10-22-71(82)75-51-59(36-44-86(75)98)57-34-42-84-73(49-57)69-20-8-12-24-80(69)96(84)65-17-5-2-6-18-65/h1-52H
InChIKeyCKWIGDNSFBWCQD-UHFFFAOYSA-N
XLogP23.24
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.43
LogP ≤ 523.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile with MolForge

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Related Compounds

9-[4-[6-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-phenylpyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 122677057
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
9-(3-carbazol-9-ylphenyl)-3-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]carbazole
CID 90209033
2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126734782
7-phenyl-5-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indolo[2,3-b]carbazole
CID 161361599
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158332871
3-(6,9-diphenylcarbazol-3-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylcarbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 161143744
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164
5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126730529
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
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
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;2-[9-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167680798

Frequently Asked Questions

What is the IUPAC name of 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile (CID 118259457) is 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile is N#Cc1cc(-c2cc(-c3ccc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4c3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)n2)ccc1C(F)(F)F.
What is the InChIKey of 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile?
The InChIKey is CKWIGDNSFBWCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52F3N7/c89-88(90,91)76-40-32-61(46-63(76)53-92)78-52-77(93-87(94-78)55-30-37-66(38-31-55)97-81-25-13-9-21-70(81)74-50-58(35-43-85(74)97)56-33-41-83-72(48-56)68-19-7-11-23-79(68)95(83)64-15-3-1-4-16-64)60-28-27-54-29-39-67(47-62(54)45-60)98-82-26-14-10-22-71(82)75-51-59(36-44-86(75)98)57-34-42-84-73(49-57)69-20-8-12-24-80(69)96(84)65-17-5-2-6-18-65/h1-52H.
What are the key properties of 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile?
5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile has a molecular weight of 1264.43 g/mol, XLogP of 23.24, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 118259457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).