9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

C97H60F3N15 — CID 146394109

IUPAC9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1cc(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ncc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C97H60F3N15/c1-59-50-72(52-73(51-59)97(98,99)100)74-57-84(115-81-48-44-70(95-110-89(64-34-18-6-19-35-64)104-90(111-95)65-36-20-7-21-37-65)55-77(81)78-56-71(45-49-82(78)115)96-112-91(66-38-22-8-23-39-66)105-92(113-96)67-40-24-9-25-41-67)101-58-83(74)114-79-46-42-68(93-106-85(60-26-10-2-11-27-60)102-86(107-93)61-28-12-3-13-29-61)53-75(79)76-54-69(43-47-80(76)114)94-108-87(62-30-14-4-15-31-62)103-88(109-94)63-32-16-5-17-33-63/h2-58H,1H3
InChIKeyJBMWBYCXVYDJET-UHFFFAOYSA-N
MW1492.65 g/mol
LogP23.01
Rot. Bonds15

About 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole

9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (PubChem CID 146394109) has the molecular formula C97H60F3N15 and a molecular weight of 1492.65 g/mol. Its IUPAC name is 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
PubChem CID146394109
Molecular FormulaC97H60F3N15
Molecular Weight1492.65 g/mol
Exact Mass1491.51
IUPAC Name9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
SMILESCc1cc(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ncc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C97H60F3N15/c1-59-50-72(52-73(51-59)97(98,99)100)74-57-84(115-81-48-44-70(95-110-89(64-34-18-6-19-35-64)104-90(111-95)65-36-20-7-21-37-65)55-77(81)78-56-71(45-49-82(78)115)96-112-91(66-38-22-8-23-39-66)105-92(113-96)67-40-24-9-25-41-67)101-58-83(74)114-79-46-42-68(93-106-85(60-26-10-2-11-27-60)102-86(107-93)61-28-12-3-13-29-61)53-75(79)76-54-69(43-47-80(76)114)94-108-87(62-30-14-4-15-31-62)103-88(109-94)63-32-16-5-17-33-63/h2-58H,1H3
InChIKeyJBMWBYCXVYDJET-UHFFFAOYSA-N
XLogP23.01
TPSA177.43 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001492.65
LogP ≤ 523.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole (CID 146394109) is 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is Cc1cc(-c2cc(-n3c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)ncc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is JBMWBYCXVYDJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H60F3N15/c1-59-50-72(52-73(51-59)97(98,99)100)74-57-84(115-81-48-44-70(95-110-89(64-34-18-6-19-35-64)104-90(111-95)65-36-20-7-21-37-65)55-77(81)78-56-71(45-49-82(78)115)96-112-91(66-38-22-8-23-39-66)105-92(113-96)67-40-24-9-25-41-67)101-58-83(74)114-79-46-42-68(93-106-85(60-26-10-2-11-27-60)102-86(107-93)61-28-12-3-13-29-61)53-75(79)76-54-69(43-47-80(76)114)94-108-87(62-30-14-4-15-31-62)103-88(109-94)63-32-16-5-17-33-63/h2-58H,1H3.
What are the key properties of 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole?
9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 1492.65 g/mol, XLogP of 23.01, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 146394109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).