9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole

C99H62F2N6 — CID 88878712

IUPAC9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-n4c5cc(-c6ccc(-n7c8ccccc8c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)cc87)cc6)ccc5c5ccc(-n6c7ccccc7c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc76)cc54)cc3)n2)cc1
InChIInChI=1S/C99H62F2N6/c100-80-40-29-68(30-41-80)97-102-98(69-31-42-81(101)43-32-69)104-99(103-97)70-35-46-83(47-36-70)106-94-59-71(67-33-44-82(45-34-67)105-91-27-15-13-25-85(91)87-50-38-72(60-93(87)105)78-55-74(63-17-5-1-6-18-63)53-75(56-78)64-19-7-2-8-20-64)37-49-89(94)90-52-48-84(62-96(90)106)107-92-28-16-14-26-86(92)88-51-39-73(61-95(88)107)79-57-76(65-21-9-3-10-22-65)54-77(58-79)66-23-11-4-12-24-66/h1-62H
InChIKeyJKBGESJUAPBWCD-UHFFFAOYSA-N
MW1373.62 g/mol
LogP26.11
Rot. Bonds13

About 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole

9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole (PubChem CID 88878712) has the molecular formula C99H62F2N6 and a molecular weight of 1373.62 g/mol. Its IUPAC name is 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole
PubChem CID88878712
Molecular FormulaC99H62F2N6
Molecular Weight1373.62 g/mol
Exact Mass1372.50
IUPAC Name9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole
SMILESFc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-n4c5cc(-c6ccc(-n7c8ccccc8c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)cc87)cc6)ccc5c5ccc(-n6c7ccccc7c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc76)cc54)cc3)n2)cc1
InChIInChI=1S/C99H62F2N6/c100-80-40-29-68(30-41-80)97-102-98(69-31-42-81(101)43-32-69)104-99(103-97)70-35-46-83(47-36-70)106-94-59-71(67-33-44-82(45-34-67)105-91-27-15-13-25-85(91)87-50-38-72(60-93(87)105)78-55-74(63-17-5-1-6-18-63)53-75(56-78)64-19-7-2-8-20-64)37-49-89(94)90-52-48-84(62-96(90)106)107-92-28-16-14-26-86(92)88-51-39-73(61-95(88)107)79-57-76(65-21-9-3-10-22-65)54-77(58-79)66-23-11-4-12-24-66/h1-62H
InChIKeyJKBGESJUAPBWCD-UHFFFAOYSA-N
XLogP26.11
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.62
LogP ≤ 526.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole (CID 88878712) is 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc(-n4c5cc(-c6ccc(-n7c8ccccc8c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10ccccc%10)c9)cc87)cc6)ccc5c5ccc(-n6c7ccccc7c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc76)cc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole?
The InChIKey is JKBGESJUAPBWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H62F2N6/c100-80-40-29-68(30-41-80)97-102-98(69-31-42-81(101)43-32-69)104-99(103-97)70-35-46-83(47-36-70)106-94-59-71(67-33-44-82(45-34-67)105-91-27-15-13-25-85(91)87-50-38-72(60-93(87)105)78-55-74(63-17-5-1-6-18-63)53-75(56-78)64-19-7-2-8-20-64)37-49-89(94)90-52-48-84(62-96(90)106)107-92-28-16-14-26-86(92)88-51-39-73(61-95(88)107)79-57-76(65-21-9-3-10-22-65)54-77(58-79)66-23-11-4-12-24-66/h1-62H.
What are the key properties of 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole?
9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole has a molecular weight of 1373.62 g/mol, XLogP of 26.11, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-2-[2-(3,5-diphenylphenyl)carbazol-9-yl]-7-[4-[2-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 88878712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).