2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline

C162H122N8 — CID 163717674

IUPAC2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c3)cc2C1(C)C.CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc4c(ccc5ccccc54)nc3-c3ccccc3)cc2C1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H41N3.C55H43N3.C48H38N2/c1-7-22-42(23-8-1)55-60-56(43-24-9-2-10-25-43)62-57(61-55)46-27-21-26-44(40-46)45-38-39-54-52(41-45)51-36-19-20-37-53(51)58(47-28-11-3-12-29-47,48-30-13-4-14-31-48)59(54,49-32-15-5-16-33-49)50-34-17-6-18-35-50;1-54(2)49-30-28-41(40-25-16-24-39(31-40)36-17-8-5-9-18-36)33-47(49)46-29-27-42(35-50(46)55(54,3)4)44-32-43-23-14-15-26-45(43)48(34-44)53-57-51(37-19-10-6-11-20-37)56-52(58-53)38-21-12-7-13-22-38;1-47(2)41-26-23-36(35-20-13-19-34(28-35)31-14-7-5-8-15-31)29-40(41)39-25-22-37(30-42(39)48(47,3)4)45-44(33-17-9-6-10-18-33)49-43-27-24-32-16-11-12-21-38(32)46(43)50-45/h1-41H;5-35H,1-4H3;5-30H,1-4H3
InChIKeyKOTQUNIQWOAMHY-UHFFFAOYSA-N
MW2180.81 g/mol
LogP40.84
Rot. Bonds18

About 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline

2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline (PubChem CID 163717674) has the molecular formula C162H122N8 and a molecular weight of 2180.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline
PubChem CID163717674
Molecular FormulaC162H122N8
Molecular Weight2180.81 g/mol
Exact Mass2178.98
IUPAC Name2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline
SMILESCC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c3)cc2C1(C)C.CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc4c(ccc5ccccc54)nc3-c3ccccc3)cc2C1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C59H41N3.C55H43N3.C48H38N2/c1-7-22-42(23-8-1)55-60-56(43-24-9-2-10-25-43)62-57(61-55)46-27-21-26-44(40-46)45-38-39-54-52(41-45)51-36-19-20-37-53(51)58(47-28-11-3-12-29-47,48-30-13-4-14-31-48)59(54,49-32-15-5-16-33-49)50-34-17-6-18-35-50;1-54(2)49-30-28-41(40-25-16-24-39(31-40)36-17-8-5-9-18-36)33-47(49)46-29-27-42(35-50(46)55(54,3)4)44-32-43-23-14-15-26-45(43)48(34-44)53-57-51(37-19-10-6-11-20-37)56-52(58-53)38-21-12-7-13-22-38;1-47(2)41-26-23-36(35-20-13-19-34(28-35)31-14-7-5-8-15-31)29-40(41)39-25-22-37(30-42(39)48(47,3)4)45-44(33-17-9-6-10-18-33)49-43-27-24-32-16-11-12-21-38(32)46(43)50-45/h1-41H;5-35H,1-4H3;5-30H,1-4H3
InChIKeyKOTQUNIQWOAMHY-UHFFFAOYSA-N
XLogP40.84
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002180.81
LogP ≤ 540.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline with MolForge

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Related Compounds

2,4-diphenyl-6-[2-(9,9,10,10-tetramethyl-8-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-(9,9,10,10-tetramethyl-5-phenylphenanthren-2-yl)benzo[f]quinoxaline
CID 163530857
2,4-diphenyl-6-[5-(9,9,10,10-tetramethylphenanthren-3-yl)naphthalen-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-3-yl)-1,3,5-triazine;4-phenyl-2-(9,9,10,10-tetramethylphenanthren-2-yl)quinazoline
CID 163651714
2-phenanthren-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazine
CID 163702512
2,4-diphenyl-6-[2-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 163623400
3-[3-(11,11-diphenylbenzo[b]fluoren-7-yl)phenyl]-2-phenylbenzo[f]quinoxaline
CID 155465522
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
CID 157197876
3-phenyl-2-(9,9,10,10-tetramethylphenanthren-1-yl)benzo[f]quinoxaline
CID 163468133
2-chrysen-3-yl-4-phenyl-6-[4-(9,9,10,10-tetramethylphenanthren-2-yl)phenyl]-1,3,5-triazine
CID 170259799
2-dibenzofuran-3-yl-3-[10-ethyl-9,9,10-trimethyl-6-[3-[3-[4-[9,10,10-triphenyl-3-[3-(4-phenylphenyl)quinoxalin-2-yl]phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-2-yl]quinoxaline
CID 163673915
2-[3-(21-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)phenyl]-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-2-yl)-1,3,5-triazine
CID 167087370
2-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-3-phenylbenzo[f]quinoxaline
CID 164721653
2,3-diphenyl-6-(9,9,10,10-tetraphenylphenanthren-3-yl)quinoxaline
CID 163454083

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline?
The IUPAC name of 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline (CID 163717674) is 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline.
What is the SMILES notation for 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline?
The canonical SMILES for 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline is CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c3)cc2C1(C)C.CC1(C)c2ccc(-c3cccc(-c4ccccc4)c3)cc2-c2ccc(-c3nc4c(ccc5ccccc54)nc3-c3ccccc3)cc2C1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline?
The InChIKey is KOTQUNIQWOAMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3.C55H43N3.C48H38N2/c1-7-22-42(23-8-1)55-60-56(43-24-9-2-10-25-43)62-57(61-55)46-27-21-26-44(40-46)45-38-39-54-52(41-45)51-36-19-20-37-53(51)58(47-28-11-3-12-29-47,48-30-13-4-14-31-48)59(54,49-32-15-5-16-33-49)50-34-17-6-18-35-50;1-54(2)49-30-28-41(40-25-16-24-39(31-40)36-17-8-5-9-18-36)33-47(49)46-29-27-42(35-50(46)55(54,3)4)44-32-43-23-14-15-26-45(43)48(34-44)53-57-51(37-19-10-6-11-20-37)56-52(58-53)38-21-12-7-13-22-38;1-47(2)41-26-23-36(35-20-13-19-34(28-35)31-14-7-5-8-15-31)29-40(41)39-25-22-37(30-42(39)48(47,3)4)45-44(33-17-9-6-10-18-33)49-43-27-24-32-16-11-12-21-38(32)46(43)50-45/h1-41H;5-35H,1-4H3;5-30H,1-4H3.
What are the key properties of 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline?
2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline has a molecular weight of 2180.81 g/mol, XLogP of 40.84, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]-1,3,5-triazine;3-phenyl-2-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]benzo[f]quinoxaline is sourced from PubChem (CID 163717674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).