3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

C96H58F6N6 — CID 118261739

IUPAC3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C96H58F6N6/c97-95(98,99)70-50-69(51-71(57-70)96(100,101)102)61-32-36-63(37-33-61)85-58-84(103-94(104-85)68-16-15-21-75(52-68)108-89-29-14-10-25-79(89)83-56-67(43-49-93(83)108)65-41-47-91-81(54-65)77-23-8-12-27-87(77)106(91)73-19-5-2-6-20-73)62-34-30-59(31-35-62)60-38-44-74(45-39-60)107-88-28-13-9-24-78(88)82-55-66(42-48-92(82)107)64-40-46-90-80(53-64)76-22-7-11-26-86(76)105(90)72-17-3-1-4-18-72/h1-58H
InChIKeyXKAPYDLRMAZTDE-UHFFFAOYSA-N
MW1409.55 g/mol
LogP26.57
Rot. Bonds11

About 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 118261739) has the molecular formula C96H58F6N6 and a molecular weight of 1409.55 g/mol. Its IUPAC name is 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID118261739
Molecular FormulaC96H58F6N6
Molecular Weight1409.55 g/mol
Exact Mass1408.46
IUPAC Name3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C96H58F6N6/c97-95(98,99)70-50-69(51-71(57-70)96(100,101)102)61-32-36-63(37-33-61)85-58-84(103-94(104-85)68-16-15-21-75(52-68)108-89-29-14-10-25-79(89)83-56-67(43-49-93(83)108)65-41-47-91-81(54-65)77-23-8-12-27-87(77)106(91)73-19-5-2-6-20-73)62-34-30-59(31-35-62)60-38-44-74(45-39-60)107-88-28-13-9-24-78(88)82-55-66(42-48-92(82)107)64-40-46-90-80(53-64)76-22-7-11-26-86(76)105(90)72-17-3-1-4-18-72/h1-58H
InChIKeyXKAPYDLRMAZTDE-UHFFFAOYSA-N
XLogP26.57
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001409.55
LogP ≤ 526.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 118261739) is 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is FC(F)(F)c1cc(-c2ccc(-c3cc(-c4ccc(-c5ccc(-n6c7ccccc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)cc5)cc4)nc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)c4)n3)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is XKAPYDLRMAZTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H58F6N6/c97-95(98,99)70-50-69(51-71(57-70)96(100,101)102)61-32-36-63(37-33-61)85-58-84(103-94(104-85)68-16-15-21-75(52-68)108-89-29-14-10-25-79(89)83-56-67(43-49-93(83)108)65-41-47-91-81(54-65)77-23-8-12-27-87(77)106(91)73-19-5-2-6-20-73)62-34-30-59(31-35-62)60-38-44-74(45-39-60)107-88-28-13-9-24-78(88)82-55-66(42-48-92(82)107)64-40-46-90-80(53-64)76-22-7-11-26-86(76)105(90)72-17-3-1-4-18-72/h1-58H.
What are the key properties of 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1409.55 g/mol, XLogP of 26.57, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-[4-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-6-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118261739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).