9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole

C45H36N4 — CID 146522545

IUPAC9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4CCCC[C@@H]4c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C45H36N4/c1-3-13-33(14-4-1)43-46-44(34-15-5-2-6-16-34)48-45(47-43)35-25-23-31(24-26-35)37-17-7-8-18-38(37)32-27-29-36(30-28-32)49-41-21-11-9-19-39(41)40-20-10-12-22-42(40)49/h1-6,9-16,19-30,37-38H,7-8,17-18H2/t37?,38-/m1/s1
InChIKeyDVWUFCKDQKCHDE-YWIOZPJLSA-N
MW632.81 g/mol
LogP11.41
Rot. Bonds6

About 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole

9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole (PubChem CID 146522545) has the molecular formula C45H36N4 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole
PubChem CID146522545
Molecular FormulaC45H36N4
Molecular Weight632.81 g/mol
Exact Mass632.29
IUPAC Name9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4CCCC[C@@H]4c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1
InChIInChI=1S/C45H36N4/c1-3-13-33(14-4-1)43-46-44(34-15-5-2-6-16-34)48-45(47-43)35-25-23-31(24-26-35)37-17-7-8-18-38(37)32-27-29-36(30-28-32)49-41-21-11-9-19-39(41)40-20-10-12-22-42(40)49/h1-6,9-16,19-30,37-38H,7-8,17-18H2/t37?,38-/m1/s1
InChIKeyDVWUFCKDQKCHDE-YWIOZPJLSA-N
XLogP11.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-b]carbazole
CID 139481204
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
8-[4-[(2S)-2-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 146522510
2-[9-(4-cyclohexylphenyl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 140916221
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole?
The IUPAC name of 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole (CID 146522545) is 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4CCCC[C@@H]4c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)n2)cc1.
What is the InChIKey of 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole?
The InChIKey is DVWUFCKDQKCHDE-YWIOZPJLSA-N. The full InChI is InChI=1S/C45H36N4/c1-3-13-33(14-4-1)43-46-44(34-15-5-2-6-16-34)48-45(47-43)35-25-23-31(24-26-35)37-17-7-8-18-38(37)32-27-29-36(30-28-32)49-41-21-11-9-19-39(41)40-20-10-12-22-42(40)49/h1-6,9-16,19-30,37-38H,7-8,17-18H2/t37?,38-/m1/s1.
What are the key properties of 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole?
9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole has a molecular weight of 632.81 g/mol, XLogP of 11.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(1S)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]carbazole is sourced from PubChem (CID 146522545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).