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

C51H34N4 — CID 166504730

IUPAC9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccccc4)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C51H34N4/c1-5-17-35(18-6-1)41-32-30-40(55-47-27-15-13-25-43(47)44-26-14-16-28-48(44)55)34-46(41)42-31-29-39(33-45(42)36-19-7-2-8-20-36)51-53-49(37-21-9-3-10-22-37)52-50(54-51)38-23-11-4-12-24-38/h1-34H
InChIKeyBBVWRFKVUIRLMB-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

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

9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole (PubChem CID 166504730) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
PubChem CID166504730
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccccc4)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C51H34N4/c1-5-17-35(18-6-1)41-32-30-40(55-47-27-15-13-25-43(47)44-26-14-16-28-48(44)55)34-46(41)42-31-29-39(33-45(42)36-19-7-2-8-20-36)51-53-49(37-21-9-3-10-22-37)52-50(54-51)38-23-11-4-12-24-38/h1-34H
InChIKeyBBVWRFKVUIRLMB-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
9-[4-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;9-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 158730760
2-carbazol-9-yl-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097738
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 167261829
3-[2-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139533350
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 170097956
3-carbazol-9-yl-9-[3-(2,5-diphenylphenyl)-4-phenylphenyl]carbazole
CID 146872026
9-[4-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425258
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648747
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole?
The IUPAC name of 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole (CID 166504730) is 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole.
What is the SMILES notation for 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole?
The canonical SMILES for 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)ccc4-c4ccccc4)c(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole?
The InChIKey is BBVWRFKVUIRLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-5-17-35(18-6-1)41-32-30-40(55-47-27-15-13-25-43(47)44-26-14-16-28-48(44)55)34-46(41)42-31-29-39(33-45(42)36-19-7-2-8-20-36)51-53-49(37-21-9-3-10-22-37)52-50(54-51)38-23-11-4-12-24-38/h1-34H.
What are the key properties of 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole?
9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole is sourced from PubChem (CID 166504730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).