2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine

C170H113N9 — CID 157081316

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5cccc6ccc7ccccc7c56)n4)cc3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc5ccc6ccccc6c5c4)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C66H43N3.C60H39N3.C44H31N3/c1-5-18-44(19-6-1)51-40-52(45-20-7-2-8-21-45)42-53(41-51)46-32-36-49(37-33-46)63-67-64(69-65(68-63)59-30-17-23-48-35-34-47-22-13-14-28-56(47)62(48)59)50-38-39-58-57-29-15-16-31-60(57)66(61(58)43-50,54-24-9-3-10-25-54)55-26-11-4-12-27-55;1-5-17-40(18-6-1)44-33-36-52(54(37-44)41-19-7-2-8-20-41)59-62-57(45-32-31-43-30-29-42-21-13-14-26-49(42)53(43)38-45)61-58(63-59)46-34-35-51-50-27-15-16-28-55(50)60(56(51)39-46,47-22-9-3-10-23-47)48-24-11-4-12-25-48;1-44(2)39-20-8-7-17-35(39)36-26-25-32(27-40(36)44)28-21-23-31(24-22-28)41-45-42(37-18-9-13-29-11-3-5-15-33(29)37)47-43(46-41)38-19-10-14-30-12-4-6-16-34(30)38/h1-43H;1-39H;3-27H,1-2H3
InChIKeyADOSOUSGHVCWTO-UHFFFAOYSA-N
MW2281.84 g/mol
LogP42.57
Rot. Bonds19

About 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine (PubChem CID 157081316) has the molecular formula C170H113N9 and a molecular weight of 2281.84 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine
PubChem CID157081316
Molecular FormulaC170H113N9
Molecular Weight2281.84 g/mol
Exact Mass2279.91
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5cccc6ccc7ccccc7c56)n4)cc3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc5ccc6ccccc6c5c4)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C66H43N3.C60H39N3.C44H31N3/c1-5-18-44(19-6-1)51-40-52(45-20-7-2-8-21-45)42-53(41-51)46-32-36-49(37-33-46)63-67-64(69-65(68-63)59-30-17-23-48-35-34-47-22-13-14-28-56(47)62(48)59)50-38-39-58-57-29-15-16-31-60(57)66(61(58)43-50,54-24-9-3-10-25-54)55-26-11-4-12-27-55;1-5-17-40(18-6-1)44-33-36-52(54(37-44)41-19-7-2-8-20-41)59-62-57(45-32-31-43-30-29-42-21-13-14-26-49(42)53(43)38-45)61-58(63-59)46-34-35-51-50-27-15-16-28-55(50)60(56(51)39-46,47-22-9-3-10-23-47)48-24-11-4-12-25-48;1-44(2)39-20-8-7-17-35(39)36-26-25-32(27-40(36)44)28-21-23-31(24-22-28)41-45-42(37-18-9-13-29-11-3-5-15-33(29)37)47-43(46-41)38-19-10-14-30-12-4-6-16-34(30)38/h1-43H;1-39H;3-27H,1-2H3
InChIKeyADOSOUSGHVCWTO-UHFFFAOYSA-N
XLogP42.57
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002281.84
LogP ≤ 542.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine
CID 122416419
2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-[3-[3-[4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 170256279
2-[3,5-bis(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(9,9-dimethylfluoren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162075973
2-[3-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158320128
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-picen-1-yl-1,3,5-triazine
CID 167087730
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 161043572
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
2-(9,9-dimethylfluoren-2-yl)-4-[3-(4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393298
2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-(11,11-dimethylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-(11,11-dimethylbenzo[a]fluoren-4-yl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 161010787
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 122416420
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine (CID 157081316) is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc3)cc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-c5cccc6ccc7ccccc7c56)n4)cc3)c2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)nc(-c4ccc5ccc6ccccc6c5c4)n3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine?
The InChIKey is ADOSOUSGHVCWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N3.C60H39N3.C44H31N3/c1-5-18-44(19-6-1)51-40-52(45-20-7-2-8-21-45)42-53(41-51)46-32-36-49(37-33-46)63-67-64(69-65(68-63)59-30-17-23-48-35-34-47-22-13-14-28-56(47)62(48)59)50-38-39-58-57-29-15-16-31-60(57)66(61(58)43-50,54-24-9-3-10-25-54)55-26-11-4-12-27-55;1-5-17-40(18-6-1)44-33-36-52(54(37-44)41-19-7-2-8-20-41)59-62-57(45-32-31-43-30-29-42-21-13-14-26-49(42)53(43)38-45)61-58(63-59)46-34-35-51-50-27-15-16-28-55(50)60(56(51)39-46,47-22-9-3-10-23-47)48-24-11-4-12-25-48;1-44(2)39-20-8-7-17-35(39)36-26-25-32(27-40(36)44)28-21-23-31(24-22-28)41-45-42(37-18-9-13-29-11-3-5-15-33(29)37)47-43(46-41)38-19-10-14-30-12-4-6-16-34(30)38/h1-43H;1-39H;3-27H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine?
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine has a molecular weight of 2281.84 g/mol, XLogP of 42.57, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-phenanthren-3-yl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenanthren-4-yl-1,3,5-triazine is sourced from PubChem (CID 157081316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).