11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene

C210H123N17OS — CID 167555732

About 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene

11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene (PubChem CID 167555732) has the molecular formula C210H123N17OS and a molecular weight of 2932.48 g/mol. Its IUPAC name is 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene.

Molecular Properties

• Compound Name: 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene
• PubChem CID: 167555732
• Molecular Formula: C210H123N17OS
• Molecular Weight: 2932.48 g/mol
• Exact Mass: 2929.98
• IUPAC Name: 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene
• SMILES: CC1(C)c2ccc(-c3ccc4c5ccccc5n5c6cccc7cccc(c3c45)c76)cc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)c21.[C-]#[N+]c1cc2cc(-c3nc4sc5ccccc5c4nc3-c3ccccc3)cc3c4cccc5c6ccccc6n(c(c1)c23)c45.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4c5cccc6cccc(c65)n5c6ccc(-c7ccc8c(c7)-c7ccccc7C87c8ccccc8Oc8ccccc87)cc6c(c3)c45)n2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3c(c2)c2cc(-c4ccc5c6cccc7c8cccc9cccc(c98)n(c5c4)c76)ccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C66H38N4O.C54H32N4.C51H33N5.C39H20N4S/c1-2-15-41(16-3-1)63-67-64(45-29-28-39-14-4-5-17-42(39)34-45)69-65(68-63)46-37-51-48-21-12-18-40-19-13-25-58(61(40)48)70-57-33-31-44(36-50(57)52(38-46)62(51)70)43-30-32-54-49(35-43)47-20-6-7-22-53(47)66(54)55-23-8-10-26-59(55)71-60-27-11-9-24-56(60)66;1-3-12-34(13-4-1)52-53(56-46-22-8-7-21-45(46)55-52)37-26-29-48-44(31-37)43-30-35(25-28-47(43)57(48)38-16-5-2-6-17-38)36-24-27-39-41-19-11-20-42-40-18-9-14-33-15-10-23-49(51(33)40)58(54(41)42)50(39)32-36;1-51(2)40-27-24-32(33-25-26-36-34-17-6-7-22-42(34)56-43-23-11-16-30-15-10-19-37(44(30)43)45(33)47(36)56)29-39(40)35-18-12-20-38(46(35)51)49-53-48(31-13-4-3-5-14-31)54-50(55-49)41-21-8-9-28-52-41;1-40-25-19-23-18-24(36-35(22-10-3-2-4-11-22)41-37-29-13-6-8-17-33(29)44-39(37)42-36)20-30-28-15-9-14-27-26-12-5-7-16-31(26)43(38(27)28)32(21-25)34(23)30/h1-38H;1-32H;3-29H,1-2H3;2-21H
• InChIKey: CZGZJGFPZISLFH-UHFFFAOYSA-N
• XLogP: 54.07
• TPSA: 177.95 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2932.48
LogP ≤ 5	54.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene?

The IUPAC name of 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene (CID 167555732) is 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene.

What is the SMILES notation for 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene?

The canonical SMILES for 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene is CC1(C)c2ccc(-c3ccc4c5ccccc5n5c6cccc7cccc(c3c45)c76)cc2-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)c21.[C-]#[N+]c1cc2cc(-c3nc4sc5ccccc5c4nc3-c3ccccc3)cc3c4cccc5c6ccccc6n(c(c1)c23)c45.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4c5cccc6cccc(c65)n5c6ccc(-c7ccc8c(c7)-c7ccccc7C87c8ccccc8Oc8ccccc87)cc6c(c3)c45)n2)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc3c(c2)c2cc(-c4ccc5c6cccc7c8cccc9cccc(c98)n(c5c4)c76)ccc2n3-c2ccccc2)cc1.

What is the InChIKey of 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene?

The InChIKey is CZGZJGFPZISLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4O.C54H32N4.C51H33N5.C39H20N4S/c1-2-15-41(16-3-1)63-67-64(45-29-28-39-14-4-5-17-42(39)34-45)69-65(68-63)46-37-51-48-21-12-18-40-19-13-25-58(61(40)48)70-57-33-31-44(36-50(57)52(38-46)62(51)70)43-30-32-54-49(35-43)47-20-6-7-22-53(47)66(54)55-23-8-10-26-59(55)71-60-27-11-9-24-56(60)66;1-3-12-34(13-4-1)52-53(56-46-22-8-7-21-45(46)55-52)37-26-29-48-44(31-37)43-30-35(25-28-47(43)57(48)38-16-5-2-6-17-38)36-24-27-39-41-19-11-20-42-40-18-9-14-33-15-10-23-49(51(33)40)58(54(41)42)50(39)32-36;1-51(2)40-27-24-32(33-25-26-36-34-17-6-7-22-42(34)56-43-23-11-16-30-15-10-19-37(44(30)43)45(33)47(36)56)29-39(40)35-18-12-20-38(46(35)51)49-53-48(31-13-4-3-5-14-31)54-50(55-49)41-21-8-9-28-52-41;1-40-25-19-23-18-24(36-35(22-10-3-2-4-11-22)41-37-29-13-6-8-17-33(29)44-39(37)42-36)20-30-28-15-9-14-27-26-12-5-7-16-31(26)43(38(27)28)32(21-25)34(23)30/h1-38H;1-32H;3-29H,1-2H3;2-21H.

What are the key properties of 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene?

11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene has a molecular weight of 2932.48 g/mol, XLogP of 54.07, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9,9-dimethyl-8-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)fluoren-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17(23),18,20-undecaene;3-(19-isocyano-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13(23),14,16,18,20-undecaen-15-yl)-2-phenyl-[1]benzothiolo[2,3-b]pyrazine;10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-yl-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene;4-[9-phenyl-6-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaene is sourced from PubChem (CID 167555732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).