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

C51H40N4 — CID 170259795

IUPAC9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)c3)cc2C1(C)C
InChIInChI=1S/C51H40N4/c1-50(2)43-24-13-11-22-39(43)40-28-26-35(31-44(40)51(50,3)4)34-18-15-19-36(30-34)48-52-47(33-16-7-5-8-17-33)53-49(54-48)37-27-29-42-41-23-12-14-25-45(41)55(46(42)32-37)38-20-9-6-10-21-38/h5-32H,1-4H3
InChIKeyFAUFTGKNMHIDDU-UHFFFAOYSA-N
MW708.91 g/mol
LogP12.87
Rot. Bonds5

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

9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 170259795) has the molecular formula C51H40N4 and a molecular weight of 708.91 g/mol. Its IUPAC name is 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID170259795
Molecular FormulaC51H40N4
Molecular Weight708.91 g/mol
Exact Mass708.33
IUPAC Name9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)c3)cc2C1(C)C
InChIInChI=1S/C51H40N4/c1-50(2)43-24-13-11-22-39(43)40-28-26-35(31-44(40)51(50,3)4)34-18-15-19-36(30-34)48-52-47(33-16-7-5-8-17-33)53-49(54-48)37-27-29-42-41-23-12-14-25-45(41)55(46(42)32-37)38-20-9-6-10-21-38/h5-32H,1-4H3
InChIKeyFAUFTGKNMHIDDU-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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]carbazole
CID 170259796
9-phenyl-2-[4-phenyl-6-[2-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 170259852
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
12,12,13,13-tetramethyl-11-[3-[4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazin-2-yl]phenyl]naphtho[2,1-a]carbazole
CID 163493829
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
9-[4-carbazol-9-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742539
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
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 121475607
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole (CID 170259795) is 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)n4)c3)cc2C1(C)C.
What is the InChIKey of 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is FAUFTGKNMHIDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N4/c1-50(2)43-24-13-11-22-39(43)40-28-26-35(31-44(40)51(50,3)4)34-18-15-19-36(30-34)48-52-47(33-16-7-5-8-17-33)53-49(54-48)37-27-29-42-41-23-12-14-25-45(41)55(46(42)32-37)38-20-9-6-10-21-38/h5-32H,1-4H3.
What are the key properties of 9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole?
9-phenyl-2-[4-phenyl-6-[3-(9,9,10,10-tetramethylphenanthren-2-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-[3-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 170259795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).