6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline

C138H101N13 — CID 162018501

IUPAC6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline
SMILESCC(C)(C)c1cc2ccccc2c(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)n1.Cc1ccc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2n1.Cc1nc2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2nc1C
InChIInChI=1S/C52H40N4.C43H31N5.C43H30N4/c1-52(2,3)47-34-44-17-10-11-20-46(44)48(53-47)40-27-21-39(22-28-40)43-18-12-19-45(33-43)51-55-49(41-29-23-37(24-30-41)35-13-6-4-7-14-35)54-50(56-51)42-31-25-38(26-32-42)36-15-8-5-9-16-36;1-28-29(2)45-40-27-37(24-25-39(40)44-28)36-14-9-15-38(26-36)43-47-41(34-20-16-32(17-21-34)30-10-5-3-6-11-30)46-42(48-43)35-22-18-33(19-23-35)31-12-7-4-8-13-31;1-29-15-16-35-13-8-14-39(40(35)44-29)34-21-27-38(28-22-34)43-46-41(36-23-17-32(18-24-36)30-9-4-2-5-10-30)45-42(47-43)37-25-19-33(20-26-37)31-11-6-3-7-12-31/h4-34H,1-3H3;3-27H,1-2H3;2-28H,1H3
InChIKeyYUKYTLNRDJTMLK-UHFFFAOYSA-N
MW1941.42 g/mol
LogP34.55
Rot. Bonds19

About 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline

6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline (PubChem CID 162018501) has the molecular formula C138H101N13 and a molecular weight of 1941.42 g/mol. Its IUPAC name is 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline.

Molecular Properties

Compound Name6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline
PubChem CID162018501
Molecular FormulaC138H101N13
Molecular Weight1941.42 g/mol
Exact Mass1939.83
IUPAC Name6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline
SMILESCC(C)(C)c1cc2ccccc2c(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)n1.Cc1ccc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2n1.Cc1nc2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2nc1C
InChIInChI=1S/C52H40N4.C43H31N5.C43H30N4/c1-52(2,3)47-34-44-17-10-11-20-46(44)48(53-47)40-27-21-39(22-28-40)43-18-12-19-45(33-43)51-55-49(41-29-23-37(24-30-41)35-13-6-4-7-14-35)54-50(56-51)42-31-25-38(26-32-42)36-15-8-5-9-16-36;1-28-29(2)45-40-27-37(24-25-39(40)44-28)36-14-9-15-38(26-36)43-47-41(34-20-16-32(17-21-34)30-10-5-3-6-11-30)46-42(48-43)35-22-18-33(19-23-35)31-12-7-4-8-13-31;1-29-15-16-35-13-8-14-39(40(35)44-29)34-21-27-38(28-22-34)43-46-41(36-23-17-32(18-24-36)30-9-4-2-5-10-30)45-42(47-43)37-25-19-33(20-26-37)31-11-6-3-7-12-31/h4-34H,1-3H3;3-27H,1-2H3;2-28H,1H3
InChIKeyYUKYTLNRDJTMLK-UHFFFAOYSA-N
XLogP34.55
TPSA167.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001941.42
LogP ≤ 534.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline with MolForge

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Related Compounds

8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylquinoline;1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methylisoquinoline
CID 158816777
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146548601
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(3-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161312431
2-[4-[2-[4-(3-naphthalen-1-ylphenyl)phenyl]propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-1-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[4-[2-(4-naphthalen-2-ylphenyl)propan-2-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(3-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-[4-(4-phenylphenyl)phenyl]propan-2-yl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,3,5-triazine
CID 158095916
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155603318
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline?
The IUPAC name of 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline (CID 162018501) is 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline.
What is the SMILES notation for 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline?
The canonical SMILES for 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline is CC(C)(C)c1cc2ccccc2c(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2)n1.Cc1ccc2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2n1.Cc1nc2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)cc2nc1C.
What is the InChIKey of 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline?
The InChIKey is YUKYTLNRDJTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N4.C43H31N5.C43H30N4/c1-52(2,3)47-34-44-17-10-11-20-46(44)48(53-47)40-27-21-39(22-28-40)43-18-12-19-45(33-43)51-55-49(41-29-23-37(24-30-41)35-13-6-4-7-14-35)54-50(56-51)42-31-25-38(26-32-42)36-15-8-5-9-16-36;1-28-29(2)45-40-27-37(24-25-39(40)44-28)36-14-9-15-38(26-36)43-47-41(34-20-16-32(17-21-34)30-10-5-3-6-11-30)46-42(48-43)35-22-18-33(19-23-35)31-12-7-4-8-13-31;1-29-15-16-35-13-8-14-39(40(35)44-29)34-21-27-38(28-22-34)43-46-41(36-23-17-32(18-24-36)30-9-4-2-5-10-30)45-42(47-43)37-25-19-33(20-26-37)31-11-6-3-7-12-31/h4-34H,1-3H3;3-27H,1-2H3;2-28H,1H3.
What are the key properties of 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline?
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline has a molecular weight of 1941.42 g/mol, XLogP of 34.55, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dimethylquinoxaline;8-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-methylquinoline;1-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-tert-butylisoquinoline is sourced from PubChem (CID 162018501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).