9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole

C65H44N6 — CID 58960701

IUPAC9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole
SMILESCc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C65H44N6/c1-41-39-45(31-37-49(41)50-38-36-48(40-42(50)2)71-61-25-13-7-19-55(61)56-20-8-14-26-62(56)71)65-67-63(43-27-32-46(33-28-43)69-57-21-9-3-15-51(57)52-16-4-10-22-58(52)69)66-64(68-65)44-29-34-47(35-30-44)70-59-23-11-5-17-53(59)54-18-6-12-24-60(54)70/h3-40H,1-2H3
InChIKeyVQCFRIRJCKESEF-UHFFFAOYSA-N
MW909.11 g/mol
LogP16.45
Rot. Bonds7

About 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole

9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole (PubChem CID 58960701) has the molecular formula C65H44N6 and a molecular weight of 909.11 g/mol. Its IUPAC name is 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole
PubChem CID58960701
Molecular FormulaC65H44N6
Molecular Weight909.11 g/mol
Exact Mass908.36
IUPAC Name9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole
SMILESCc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C65H44N6/c1-41-39-45(31-37-49(41)50-38-36-48(40-42(50)2)71-61-25-13-7-19-55(61)56-20-8-14-26-62(56)71)65-67-63(43-27-32-46(33-28-43)69-57-21-9-3-15-51(57)52-16-4-10-22-58(52)69)66-64(68-65)44-29-34-47(35-30-44)70-59-23-11-5-17-53(59)54-18-6-12-24-60(54)70/h3-40H,1-2H3
InChIKeyVQCFRIRJCKESEF-UHFFFAOYSA-N
XLogP16.45
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.11
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole?
The IUPAC name of 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole (CID 58960701) is 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole.
What is the SMILES notation for 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole?
The canonical SMILES for 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole is Cc1cc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole?
The InChIKey is VQCFRIRJCKESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H44N6/c1-41-39-45(31-37-49(41)50-38-36-48(40-42(50)2)71-61-25-13-7-19-55(61)56-20-8-14-26-62(56)71)65-67-63(43-27-32-46(33-28-43)69-57-21-9-3-15-51(57)52-16-4-10-22-58(52)69)66-64(68-65)44-29-34-47(35-30-44)70-59-23-11-5-17-53(59)54-18-6-12-24-60(54)70/h3-40H,1-2H3.
What are the key properties of 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole?
9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole has a molecular weight of 909.11 g/mol, XLogP of 16.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-2-methylphenyl]-3-methylphenyl]carbazole is sourced from PubChem (CID 58960701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).