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

C87H53F3N6 — CID 118259458

IUPAC3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1
InChIInChI=1S/C87H53F3N6/c88-87(89,90)63-39-32-54(33-40-63)76-53-77(92-86(91-76)62-16-15-21-66(48-62)95-80-28-13-9-24-70(80)74-51-59(37-44-84(74)95)57-35-42-82-72(49-57)68-22-7-11-26-78(68)93(82)64-17-3-1-4-18-64)61-31-30-56-47-67(41-34-55(56)46-61)96-81-29-14-10-25-71(81)75-52-60(38-45-85(75)96)58-36-43-83-73(50-58)69-23-8-12-27-79(69)94(83)65-19-5-2-6-20-65/h1-53H
InChIKeyPLBQJYQSCQHBRO-UHFFFAOYSA-N
MW1239.42 g/mol
LogP23.37
Rot. Bonds9

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

3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole (PubChem CID 118259458) has the molecular formula C87H53F3N6 and a molecular weight of 1239.42 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
PubChem CID118259458
Molecular FormulaC87H53F3N6
Molecular Weight1239.42 g/mol
Exact Mass1238.43
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2cc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1
InChIInChI=1S/C87H53F3N6/c88-87(89,90)63-39-32-54(33-40-63)76-53-77(92-86(91-76)62-16-15-21-66(48-62)95-80-28-13-9-24-70(80)74-51-59(37-44-84(74)95)57-35-42-82-72(49-57)68-22-7-11-26-78(68)93(82)64-17-3-1-4-18-64)61-31-30-56-47-67(41-34-55(56)46-61)96-81-29-14-10-25-71(81)75-52-60(38-45-85(75)96)58-36-43-83-73(50-58)69-23-8-12-27-79(69)94(83)65-19-5-2-6-20-65/h1-53H
InChIKeyPLBQJYQSCQHBRO-UHFFFAOYSA-N
XLogP23.37
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.42
LogP ≤ 523.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole (CID 118259458) is 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole is FC(F)(F)c1ccc(-c2cc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)ccc4c3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is PLBQJYQSCQHBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53F3N6/c88-87(89,90)63-39-32-54(33-40-63)76-53-77(92-86(91-76)62-16-15-21-66(48-62)95-80-28-13-9-24-70(80)74-51-59(37-44-84(74)95)57-35-42-82-72(49-57)68-22-7-11-26-78(68)93(82)64-17-3-1-4-18-64)61-31-30-56-47-67(41-34-55(56)46-61)96-81-29-14-10-25-71(81)75-52-60(38-45-85(75)96)58-36-43-83-73(50-58)69-23-8-12-27-79(69)94(83)65-19-5-2-6-20-65/h1-53H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 1239.42 g/mol, XLogP of 23.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[3-[4-[6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 118259458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).