2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine

C132H85N13 — CID 160804178

IUPAC2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESN#Cc1ccccc1-c1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3c3ccccc23)cc1.[C-]#[N+]c1cccc2c1C(C)(C)c1cc(-c3ccc(-c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c5ccccc45)cc3)ccc1-2.c1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c4ccccc34)nn2)cc1
InChIInChI=1S/C51H34N4.C42H26N4.C39H25N5/c1-51(2)43-31-36(29-30-39(43)42-23-14-24-44(52-3)47(42)51)32-25-27-33(28-26-32)45-40-21-12-10-19-37(40)38-20-11-13-22-41(38)46(45)50-54-48(34-15-6-4-7-16-34)53-49(55-50)35-17-8-5-9-18-35;43-27-32-17-7-8-18-33(32)28-23-25-29(26-24-28)38-36-21-11-9-19-34(36)35-20-10-12-22-37(35)39(38)42-45-40(30-13-3-1-4-14-30)44-41(46-42)31-15-5-2-6-16-31;1-4-14-26(15-5-1)33-24-25-34(44-43-33)35-31-22-12-10-20-29(31)30-21-11-13-23-32(30)36(35)39-41-37(27-16-6-2-7-17-27)40-38(42-39)28-18-8-3-9-19-28/h4-31H,1-2H3;1-26H;1-25H
InChIKeySDLYBQGOBCMTGV-UHFFFAOYSA-N
MW1853.22 g/mol
LogP33.06
Rot. Bonds15

About 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine

2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 160804178) has the molecular formula C132H85N13 and a molecular weight of 1853.22 g/mol. Its IUPAC name is 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID160804178
Molecular FormulaC132H85N13
Molecular Weight1853.22 g/mol
Exact Mass1851.71
IUPAC Name2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESN#Cc1ccccc1-c1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3c3ccccc23)cc1.[C-]#[N+]c1cccc2c1C(C)(C)c1cc(-c3ccc(-c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c5ccccc45)cc3)ccc1-2.c1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c4ccccc34)nn2)cc1
InChIInChI=1S/C51H34N4.C42H26N4.C39H25N5/c1-51(2)43-31-36(29-30-39(43)42-23-14-24-44(52-3)47(42)51)32-25-27-33(28-26-32)45-40-21-12-10-19-37(40)38-20-11-13-22-41(38)46(45)50-54-48(34-15-6-4-7-16-34)53-49(55-50)35-17-8-5-9-18-35;43-27-32-17-7-8-18-33(32)28-23-25-29(26-24-28)38-36-21-11-9-19-34(36)35-20-10-12-22-37(35)39(38)42-45-40(30-13-3-1-4-14-30)44-41(46-42)31-15-5-2-6-16-31;1-4-14-26(15-5-1)33-24-25-34(44-43-33)35-31-22-12-10-20-29(31)30-21-11-13-23-32(30)36(35)39-41-37(27-16-6-2-7-17-27)40-38(42-39)28-18-8-3-9-19-28/h4-31H,1-2H3;1-26H;1-25H
InChIKeySDLYBQGOBCMTGV-UHFFFAOYSA-N
XLogP33.06
TPSA169.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.22
LogP ≤ 533.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzonitrile;2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-phenylbenzimidazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 159690378
2-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)phenyl]-1,3,5-triazine;2-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;2-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1-phenylbenzimidazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158536054
2,4-diphenyl-6-[2-(6-phenylpyridazin-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;7-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]benzo[c]carbazole;2-[2-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164950843
7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138750088
9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-pyridin-4-ylphenyl]fluorene-1-carbonitrile
CID 171421544
2-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162775840
2-[4-[3-(5-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 162775812
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
7-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-4-carbonitrile
CID 138749717
2-[2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 168836979
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
4-[3-[3-(21,21-dimethyl-18-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272149

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine (CID 160804178) is 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine is N#Cc1ccccc1-c1ccc(-c2c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3c3ccccc23)cc1.[C-]#[N+]c1cccc2c1C(C)(C)c1cc(-c3ccc(-c4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc5c5ccccc45)cc3)ccc1-2.c1ccc(-c2ccc(-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c4ccccc34)nn2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is SDLYBQGOBCMTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4.C42H26N4.C39H25N5/c1-51(2)43-31-36(29-30-39(43)42-23-14-24-44(52-3)47(42)51)32-25-27-33(28-26-32)45-40-21-12-10-19-37(40)38-20-11-13-22-41(38)46(45)50-54-48(34-15-6-4-7-16-34)53-49(55-50)35-17-8-5-9-18-35;43-27-32-17-7-8-18-33(32)28-23-25-29(26-24-28)38-36-21-11-9-19-34(36)35-20-10-12-22-37(35)39(38)42-45-40(30-13-3-1-4-14-30)44-41(46-42)31-15-5-2-6-16-31;1-4-14-26(15-5-1)33-24-25-34(44-43-33)35-31-22-12-10-20-29(31)30-21-11-13-23-32(30)36(35)39-41-37(27-16-6-2-7-17-27)40-38(42-39)28-18-8-3-9-19-28/h4-31H,1-2H3;1-26H;1-25H.
What are the key properties of 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1853.22 g/mol, XLogP of 33.06, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[10-(6-phenylpyridazin-3-yl)phenanthren-9-yl]-1,3,5-triazine;2-[4-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]benzonitrile;2-[10-[4-(8-isocyano-9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 160804178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).