2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine

C161H130N12 — CID 160583727

IUPAC2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4c5c3ccc3ccc6cccc-4c6c35)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cccc3C)nc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)n2)c(C)c1
InChIInChI=1S/C44H35N3.C41H33N3.C39H31N3.C37H31N3/c1-26-22-29(4)41(30(5)23-26)44-46-42(45-43(47-44)40-27(2)14-13-15-28(40)3)39-25-38-33-19-10-9-18-32(33)36(31-16-7-6-8-17-31)24-37(38)34-20-11-12-21-35(34)39;1-22-18-24(3)35(25(4)19-22)40-42-39(43-41(44-40)36-26(5)20-23(2)21-27(36)6)34-17-16-33-30-13-8-11-28-10-7-12-29(37(28)30)31-14-9-15-32(34)38(31)33;1-20-16-22(3)32(23(4)17-20)38-40-37(41-39(42-38)33-24(5)18-21(2)19-25(33)6)31-15-14-29-28-9-7-8-26-10-11-27-12-13-30(31)36(29)35(27)34(26)28;1-20-16-22(3)31(23(4)17-20)36-38-35(39-37(40-36)32-24(5)18-21(2)19-25(32)6)30-15-13-28-11-10-26-8-7-9-27-12-14-29(30)34(28)33(26)27/h6-25H,1-5H3;7-21H,1-6H3;7-19H,1-6H3;7-19H,1-6H3
InChIKeyRCCQVMVDRFGOSW-UHFFFAOYSA-N
MW2232.89 g/mol
LogP42.10
Rot. Bonds13

About 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine

2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine (PubChem CID 160583727) has the molecular formula C161H130N12 and a molecular weight of 2232.89 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
PubChem CID160583727
Molecular FormulaC161H130N12
Molecular Weight2232.89 g/mol
Exact Mass2231.05
IUPAC Name2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
SMILESCc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4c5c3ccc3ccc6cccc-4c6c35)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cccc3C)nc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)n2)c(C)c1
InChIInChI=1S/C44H35N3.C41H33N3.C39H31N3.C37H31N3/c1-26-22-29(4)41(30(5)23-26)44-46-42(45-43(47-44)40-27(2)14-13-15-28(40)3)39-25-38-33-19-10-9-18-32(33)36(31-16-7-6-8-17-31)24-37(38)34-20-11-12-21-35(34)39;1-22-18-24(3)35(25(4)19-22)40-42-39(43-41(44-40)36-26(5)20-23(2)21-27(36)6)34-17-16-33-30-13-8-11-28-10-7-12-29(37(28)30)31-14-9-15-32(34)38(31)33;1-20-16-22(3)32(23(4)17-20)38-40-37(41-39(42-38)33-24(5)18-21(2)19-25(33)6)31-15-14-29-28-9-7-8-26-10-11-27-12-13-30(31)36(29)35(27)34(26)28;1-20-16-22(3)31(23(4)17-20)36-38-35(39-37(40-36)32-24(5)18-21(2)19-25(32)6)30-15-13-28-11-10-26-8-7-9-27-12-14-29(30)34(28)33(26)27/h6-25H,1-5H3;7-21H,1-6H3;7-19H,1-6H3;7-19H,1-6H3
InChIKeyRCCQVMVDRFGOSW-UHFFFAOYSA-N
XLogP42.10
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002232.89
LogP ≤ 542.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-[10-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]anthracen-9-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-[12-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]chrysen-6-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]fluoranthen-8-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-[22-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-8-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-[6-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-[22-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl]-4,6-diphenyl-1,3,5-triazine
CID 161005007
2-(2,6-dimethylphenyl)-4-[4-[2-[3,5-dimethyl-4-[4-(10-phenylanthracen-9-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]phenyl]ethyl]-2,6-dimethylphenyl]-6-(12-phenylchrysen-6-yl)-1,3,5-triazine
CID 90745853
2-[6-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58454357
2-[6-[4,6-bis(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]pyren-1-yl]-4,6-bis(2,6-dimethylphenyl)-1,3,5-triazine
CID 58454310
2-(4-phenylnaphthalen-1-yl)-4-(2-phenylphenyl)-6-(4-pyren-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176632742
2-[22-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-8-octacyclo[16.10.1.14,11.02,16.05,10.019,24.025,29.015,30]triaconta-1(28),2(16),3,5(10),6,8,11(30),12,14,17,19(24),20,22,25(29),26-pentadecaenyl]-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58454340
2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine
CID 167087547
2-(3-methylphenanthren-1-yl)-4-naphthalen-1-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232925
4,9-dimethyl-13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7(26),8,10,12,14,16,18(25),19,21,23-tridecaene;8-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3,5,7,9,11(26),13,15,17,19,21,23-tridecaene;13-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1,3,5,7(26),8,10,12,14,16,18(25),19,21,23-tridecaene;23-phenylheptacyclo[12.10.1.13,7.02,12.018,25.019,24.011,26]hexacosa-1(25),2(12),3,5,7(26),8,10,13,15,17,19(24),20,22-tridecaene
CID 159143720
5-phenylpentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 162640084
2-(4-methylphenyl)hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 58734352
10,15-dimethyl-5,20-diphenylundecacyclo[25.12.2.128,32.02,23.04,21.06,19.07,12.013,18.024,40.037,41.036,42]dotetraconta-1(40),2(23),3,5,7(12),8,10,13(18),14,16,19,21,24,26,28,30,32(42),33,35,37(41),38-henicosaene
CID 123686165

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine (CID 160583727) is 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine is Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4c5c3ccc3ccc6cccc-4c6c35)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cc(C)cc3C)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3c(C)cccc3C)nc(-c3cc4c5ccccc5c(-c5ccccc5)cc4c4ccccc34)n2)c(C)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine?
The InChIKey is RCCQVMVDRFGOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N3.C41H33N3.C39H31N3.C37H31N3/c1-26-22-29(4)41(30(5)23-26)44-46-42(45-43(47-44)40-27(2)14-13-15-28(40)3)39-25-38-33-19-10-9-18-32(33)36(31-16-7-6-8-17-31)24-37(38)34-20-11-12-21-35(34)39;1-22-18-24(3)35(25(4)19-22)40-42-39(43-41(44-40)36-26(5)20-23(2)21-27(36)6)34-17-16-33-30-13-8-11-28-10-7-12-29(37(28)30)31-14-9-15-32(34)38(31)33;1-20-16-22(3)32(23(4)17-20)38-40-37(41-39(42-38)33-24(5)18-21(2)19-25(33)6)31-15-14-29-28-9-7-8-26-10-11-27-12-13-30(31)36(29)35(27)34(26)28;1-20-16-22(3)31(23(4)17-20)36-38-35(39-37(40-36)32-24(5)18-21(2)19-25(32)6)30-15-13-28-11-10-26-8-7-9-27-12-14-29(30)34(28)33(26)27/h6-25H,1-5H3;7-21H,1-6H3;7-19H,1-6H3;7-19H,1-6H3.
What are the key properties of 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine?
2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine has a molecular weight of 2232.89 g/mol, XLogP of 42.10, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-4-(12-phenylchrysen-6-yl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine;2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-perylen-3-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine;2-pyren-1-yl-4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160583727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).