4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C124H74N10O — CID 161157059

About 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 161157059) has the molecular formula C124H74N10O and a molecular weight of 1720.02 g/mol. Its IUPAC name is 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

• Compound Name: 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• PubChem CID: 161157059
• Molecular Formula: C124H74N10O
• Molecular Weight: 1720.02 g/mol
• Exact Mass: 1718.60
• IUPAC Name: 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8c6ccc6cccc(c68)n7-c6ccc7oc8ccccc8c7c6)ccc54)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8c6ccc6cccc(c68)n7-c6ccc7ccccc7c6)ccc54)n3)ccc2c1
• InChI: InChI=1S/C65H39N5O.C59H35N5/c1-3-14-40(15-4-1)43-19-11-21-46(36-43)63-66-64(47-22-12-20-44(37-47)41-16-5-2-6-17-41)68-65(67-63)70-55-25-9-7-23-50(55)53-38-45(29-33-56(53)70)49-32-34-58-62-52(49)31-28-42-18-13-26-57(61(42)62)69(58)48-30-35-60-54(39-48)51-24-8-10-27-59(51)71-60;1-4-13-40-32-44(22-20-36(40)10-1)57-60-58(45-23-21-37-11-2-5-14-41(37)33-45)62-59(61-57)64-51-18-8-7-17-48(51)50-35-43(26-30-52(50)64)47-29-31-54-56-49(47)28-25-39-16-9-19-53(55(39)56)63(54)46-27-24-38-12-3-6-15-42(38)34-46/h1-39H;1-35H
• InChIKey: UPKXCUIRHNTDQO-UHFFFAOYSA-N
• XLogP: 32.01
• TPSA: 110.20 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.02
LogP ≤ 5	32.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The IUPAC name of 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 161157059) is 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

What is the SMILES notation for 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The canonical SMILES for 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8c6ccc6cccc(c68)n7-c6ccc7oc8ccccc8c7c6)ccc54)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8c6ccc6cccc(c68)n7-c6ccc7ccccc7c6)ccc54)n3)ccc2c1.

What is the InChIKey of 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The InChIKey is UPKXCUIRHNTDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39N5O.C59H35N5/c1-3-14-40(15-4-1)43-19-11-21-46(36-43)63-66-64(47-22-12-20-44(37-47)41-16-5-2-6-17-41)68-65(67-63)70-55-25-9-7-23-50(55)53-38-45(29-33-56(53)70)49-32-34-58-62-52(49)31-28-42-18-13-26-57(61(42)62)69(58)48-30-35-60-54(39-48)51-24-8-10-27-59(51)71-60;1-4-13-40-32-44(22-20-36(40)10-1)57-60-58(45-23-21-37-11-2-5-14-41(37)33-45)62-59(61-57)64-51-18-8-7-17-48(51)50-35-43(26-30-52(50)64)47-29-31-54-56-49(47)28-25-39-16-9-19-53(55(39)56)63(54)46-27-24-38-12-3-6-15-42(38)34-46/h1-39H;1-35H.

What are the key properties of 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 1720.02 g/mol, XLogP of 32.01, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-15-dibenzofuran-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;4-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-15-naphthalen-2-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 161157059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).