3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene

C205H132N26O — CID 158761899

About 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene (PubChem CID 158761899) has the molecular formula C205H132N26O and a molecular weight of 2975.49 g/mol. Its IUPAC name is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene.

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene
• PubChem CID: 158761899
• Molecular Formula: C205H132N26O
• Molecular Weight: 2975.49 g/mol
• Exact Mass: 2973.11
• IUPAC Name: 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene
• SMILES: CC1(C)c2cc3c(cc2-c2ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c21)nc(-c1ccccc1)n3-c1ccccc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c7n(-c7ccccc7)c6c54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7nc(-c8ccccc8)n(-c8ccccc8)c7c6oc5c43)n2)cc1
• InChI: InChI=1S/C58H37N7.C52H33N7.C49H34N6.C46H28N6O/c1-6-19-38(20-7-1)41-25-18-26-42(37-41)56-60-55(39-21-8-2-9-22-39)61-58(62-56)65-49-32-17-16-31-45(49)46-33-34-48-47-35-36-50-51(52(47)64(53(48)54(46)65)44-29-14-5-15-30-44)59-57(40-23-10-3-11-24-40)63(50)43-27-12-4-13-28-43;1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-43-29-17-16-28-39(43)40-30-31-42-41-32-33-44-45(46(41)58(47(42)48(40)59)38-26-14-5-15-27-38)53-51(36-22-10-3-11-23-36)57(44)37-24-12-4-13-25-37;1-49(2)39-30-42-40(50-47(33-21-11-5-12-22-33)54(42)34-23-13-6-14-24-34)29-38(39)36-27-28-37-35-25-15-16-26-41(35)55(44(37)43(36)49)48-52-45(31-17-7-3-8-18-31)51-46(53-48)32-19-9-4-10-20-32;1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-38-24-14-13-23-33(38)34-25-26-35-36-27-28-37-40(42(36)53-41(35)39(34)52)51(32-21-11-4-12-22-32)45(47-37)31-19-9-3-10-20-31/h1-37H;1-33H;3-30H,1-2H3;1-28H
• InChIKey: IOTUUFUTLJKGQK-UHFFFAOYSA-N
• XLogP: 49.30
• TPSA: 268.68 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2975.49
LogP ≤ 5	49.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene?

The IUPAC name of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene (CID 158761899) is 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene.

What is the SMILES notation for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene?

The canonical SMILES for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene is CC1(C)c2cc3c(cc2-c2ccc4c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c21)nc(-c1ccccc1)n3-c1ccccc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccc8c(nc(-c9ccccc9)n8-c8ccccc8)c7n(-c7ccccc7)c6c54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7nc(-c8ccccc8)n(-c8ccccc8)c7c6oc5c43)n2)cc1.

What is the InChIKey of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene?

The InChIKey is IOTUUFUTLJKGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N7.C52H33N7.C49H34N6.C46H28N6O/c1-6-19-38(20-7-1)41-25-18-26-42(37-41)56-60-55(39-21-8-2-9-22-39)61-58(62-56)65-49-32-17-16-31-45(49)46-33-34-48-47-35-36-50-51(52(47)64(53(48)54(46)65)44-29-14-5-15-30-44)59-57(40-23-10-3-11-24-40)63(50)43-27-12-4-13-28-43;1-6-18-34(19-7-1)49-54-50(35-20-8-2-9-21-35)56-52(55-49)59-43-29-17-16-28-39(43)40-30-31-42-41-32-33-44-45(46(41)58(47(42)48(40)59)38-26-14-5-15-27-38)53-51(36-22-10-3-11-23-36)57(44)37-24-12-4-13-25-37;1-49(2)39-30-42-40(50-47(33-21-11-5-12-22-33)54(42)34-23-13-6-14-24-34)29-38(39)36-27-28-37-35-25-15-16-26-41(35)55(44(37)43(36)49)48-52-45(31-17-7-3-8-18-31)51-46(53-48)32-19-9-4-10-20-32;1-5-15-29(16-6-1)43-48-44(30-17-7-2-8-18-30)50-46(49-43)52-38-24-14-13-23-33(38)34-25-26-35-36-27-28-37-40(42(36)53-41(35)39(34)52)51(32-21-11-4-12-22-32)45(47-37)31-19-9-3-10-20-31/h1-37H;1-33H;3-30H,1-2H3;1-28H.

What are the key properties of 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene?

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene has a molecular weight of 2975.49 g/mol, XLogP of 49.30, 23 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-1,3,5-triazin-2-yl)-23,23-dimethyl-18,19-diphenyl-3,17,19-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14,16(20),17,21-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,20-diphenyl-23-oxa-3,18,20-triazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),18-decaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19,23-triphenyl-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene;18,19,23-triphenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-3,18,20,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.017,21]tricosa-1(13),2(10),4,6,8,11,14(22),15,17(21),19-decaene is sourced from PubChem (CID 158761899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).