5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane

C189H127N15O — CID 157104469

About 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane

5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane (PubChem CID 157104469) has the molecular formula C189H127N15O and a molecular weight of 2624.20 g/mol. Its IUPAC name is 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane.

Molecular Properties

• Compound Name: 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane
• PubChem CID: 157104469
• Molecular Formula: C189H127N15O
• Molecular Weight: 2624.20 g/mol
• Exact Mass: 2622.03
• IUPAC Name: 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane
• SMILES: C.C.CC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c(c3)c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccccc3)ccc2n1-c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)-c5ccccc5C75c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)n2)cc1
• InChI: InChI=1S/C70H43N5.C60H41N5.C57H35N5O.2CH4/c1-5-20-44(21-6-1)67-71-68(45-22-7-2-8-23-45)73-69(72-67)54-31-19-35-63-64(54)56-43-47(37-41-62(56)74(63)48-24-9-3-10-25-48)46-36-40-61-55(42-46)52-38-39-60-65(66(52)75(61)49-26-11-4-12-27-49)53-30-15-18-34-59(53)70(60)57-32-16-13-28-50(57)51-29-14-17-33-58(51)70;1-60(2)48-28-16-15-26-44(48)55-49(60)32-35-53-56(55)47-37-41(31-34-51(47)65(53)43-24-13-6-14-25-43)40-30-33-50-46(36-40)54-45(27-17-29-52(54)64(50)42-22-11-5-12-23-42)59-62-57(38-18-7-3-8-19-38)61-58(63-59)39-20-9-4-10-21-39;1-5-16-36(17-6-1)55-58-56(37-18-7-2-8-19-37)60-57(59-55)43-25-15-26-50-54(43)47-33-39(29-31-49(47)61(50)40-20-9-3-10-21-40)38-28-30-48-44(32-38)45-34-46-42-24-13-14-27-52(42)63-53(46)35-51(45)62(48)41-22-11-4-12-23-41;;/h1-43H;3-37H,1-2H3;1-35H;2*1H4
• InChIKey: AGDIXUFMQGOZRD-UHFFFAOYSA-N
• XLogP: 48.02
• TPSA: 158.73 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2624.20
LogP ≤ 5	48.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane?

The IUPAC name of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane (CID 157104469) is 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane.

What is the SMILES notation for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane?

The canonical SMILES for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane is C.C.CC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c(c3)c3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc3n4-c3ccccc3)ccc2n1-c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)c5ccc7c(c5n6-c5ccccc5)-c5ccccc5C75c6ccccc6-c6ccccc65)ccc3n4-c3ccccc3)n2)cc1.

What is the InChIKey of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane?

The InChIKey is AGDIXUFMQGOZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5.C60H41N5.C57H35N5O.2CH4/c1-5-20-44(21-6-1)67-71-68(45-22-7-2-8-23-45)73-69(72-67)54-31-19-35-63-64(54)56-43-47(37-41-62(56)74(63)48-24-9-3-10-25-48)46-36-40-61-55(42-46)52-38-39-60-65(66(52)75(61)49-26-11-4-12-27-49)53-30-15-18-34-59(53)70(60)57-32-16-13-28-50(57)51-29-14-17-33-58(51)70;1-60(2)48-28-16-15-26-44(48)55-49(60)32-35-53-56(55)47-37-41(31-34-51(47)65(53)43-24-13-6-14-25-43)40-30-33-50-46(36-40)54-45(27-17-29-52(54)64(50)42-22-11-5-12-23-42)59-62-57(38-18-7-3-8-19-38)61-58(63-59)39-20-9-4-10-21-39;1-5-16-36(17-6-1)55-58-56(37-18-7-2-8-19-37)60-57(59-55)43-25-15-26-50-54(43)47-33-39(29-31-49(47)61(50)40-20-9-3-10-21-40)38-28-30-48-44(32-38)45-34-46-42-24-13-14-27-52(42)63-53(46)35-51(45)62(48)41-22-11-4-12-23-41;;/h1-43H;3-37H,1-2H3;1-35H;2*1H4.

What are the key properties of 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane?

5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane has a molecular weight of 2624.20 g/mol, XLogP of 48.02, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;10-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-3-yl]-12'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole];methane is sourced from PubChem (CID 157104469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).