3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole

C56H51N5 — CID 59412008

IUPAC3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole
SMILESCC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(CCCc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc3n4CC(C)C)ccc21
InChIInChI=1S/C56H51N5/c1-37(2)35-60-50-21-12-11-20-46(50)48-33-44(27-30-52(48)60)45-28-31-53-49(34-45)47-32-40(24-29-51(47)61(53)36-38(3)4)15-13-14-39-22-25-43(26-23-39)56-58-54(41-16-7-5-8-17-41)57-55(59-56)42-18-9-6-10-19-42/h5-12,16-34,37-38H,13-15,35-36H2,1-4H3
InChIKeyRCMZPBLAXKBLIG-UHFFFAOYSA-N
MW794.06 g/mol
LogP14.24
Rot. Bonds12

About 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole

3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole (PubChem CID 59412008) has the molecular formula C56H51N5 and a molecular weight of 794.06 g/mol. Its IUPAC name is 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole
PubChem CID59412008
Molecular FormulaC56H51N5
Molecular Weight794.06 g/mol
Exact Mass793.41
IUPAC Name3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole
SMILESCC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(CCCc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc3n4CC(C)C)ccc21
InChIInChI=1S/C56H51N5/c1-37(2)35-60-50-21-12-11-20-46(50)48-33-44(27-30-52(48)60)45-28-31-53-49(34-45)47-32-40(24-29-51(47)61(53)36-38(3)4)15-13-14-39-22-25-43(26-23-39)56-58-54(41-16-7-5-8-17-41)57-55(59-56)42-18-9-6-10-19-42/h5-12,16-34,37-38H,13-15,35-36H2,1-4H3
InChIKeyRCMZPBLAXKBLIG-UHFFFAOYSA-N
XLogP14.24
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.06
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-ethylcarbazole
CID 58556574
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-ethylcarbazole
CID 160897853
3-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-9-phenylcarbazole
CID 146522579
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]ethyl]-3,6-dimethoxycarbazole
CID 146522505
2,10-dibutyl-7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-phenyl-5-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 165067145
3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]-9-methylcarbazole
CID 144884574
N-[(3-phenylcarbazol-9-yl)methyl]methanimine
CID 162363069
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole?
The IUPAC name of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole (CID 59412008) is 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole is CC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(CCCc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc3n4CC(C)C)ccc21.
What is the InChIKey of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole?
The InChIKey is RCMZPBLAXKBLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51N5/c1-37(2)35-60-50-21-12-11-20-46(50)48-33-44(27-30-52(48)60)45-28-31-53-49(34-45)47-32-40(24-29-51(47)61(53)36-38(3)4)15-13-14-39-22-25-43(26-23-39)56-58-54(41-16-7-5-8-17-41)57-55(59-56)42-18-9-6-10-19-42/h5-12,16-34,37-38H,13-15,35-36H2,1-4H3.
What are the key properties of 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole?
3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole has a molecular weight of 794.06 g/mol, XLogP of 14.24, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]propyl]-9-(2-methylpropyl)-6-[9-(2-methylpropyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 59412008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).