9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

C51H40N4 — CID 170259852

IUPAC9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)ccc2C1(C)C
InChIInChI=1S/C51H40N4/c1-50(2)43-25-15-13-22-38(43)42-31-34(28-30-44(42)51(50,3)4)37-21-11-12-24-41(37)49-53-47(33-17-7-5-8-18-33)52-48(54-49)35-27-29-40-39-23-14-16-26-45(39)55(46(40)32-35)36-19-9-6-10-20-36/h5-32H,1-4H3
InChIKeyOLDCTQGKRSDDDH-UHFFFAOYSA-N
MW708.91 g/mol
LogP12.87
Rot. Bonds5

About 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole

9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 170259852) has the molecular formula C51H40N4 and a molecular weight of 708.91 g/mol. Its IUPAC name is 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID170259852
Molecular FormulaC51H40N4
Molecular Weight708.91 g/mol
Exact Mass708.33
IUPAC Name9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)ccc2C1(C)C
InChIInChI=1S/C51H40N4/c1-50(2)43-25-15-13-22-38(43)42-31-34(28-30-44(42)51(50,3)4)37-21-11-12-24-41(37)49-53-47(33-17-7-5-8-18-33)52-48(54-49)35-27-29-40-39-23-14-16-26-45(39)55(46(40)32-35)36-19-9-6-10-20-36/h5-32H,1-4H3
InChIKeyOLDCTQGKRSDDDH-UHFFFAOYSA-N
XLogP12.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.91
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259795
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
CID 170259796
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 171402410
2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648358
9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155278950
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 162481748
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole
CID 170017211
12-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(2-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165441
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 170259852) is 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)ccc2C1(C)C.
What is the InChIKey of 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is OLDCTQGKRSDDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N4/c1-50(2)43-25-15-13-22-38(43)42-31-34(28-30-44(42)51(50,3)4)37-21-11-12-24-41(37)49-53-47(33-17-7-5-8-18-33)52-48(54-49)35-27-29-40-39-23-14-16-26-45(39)55(46(40)32-35)36-19-9-6-10-20-36/h5-32H,1-4H3.
What are the key properties of 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 708.91 g/mol, XLogP of 12.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170259852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).