2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C123H85N11 — CID 167618869

About 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 167618869) has the molecular formula C123H85N11 and a molecular weight of 1717.11 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 167618869
• Molecular Formula: C123H85N11
• Molecular Weight: 1717.11 g/mol
• Exact Mass: 1715.70
• IUPAC Name: 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2cc3ccccc3cc21.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)n2)cc1
• InChI: InChI=1S/C42H30N4.C41H26N4.C40H29N3/c1-27-21-22-35(28(2)43-27)32-23-33(39-26-31-17-9-10-18-36(31)37-19-11-12-20-38(37)39)25-34(24-32)42-45-40(29-13-5-3-6-14-29)44-41(46-42)30-15-7-4-8-16-30;1-3-13-29(14-4-1)39-42-40(30-15-5-2-6-16-30)44-41(43-39)31-19-23-32(24-20-31)45-35-25-21-27-11-7-9-17-33(27)37(35)38-34-18-10-8-12-28(34)22-26-36(38)45;1-40(2)35-25-32(21-22-33(35)34-23-30-15-9-10-16-31(30)24-36(34)40)39-42-37(28-13-7-4-8-14-28)41-38(43-39)29-19-17-27(18-20-29)26-11-5-3-6-12-26/h3-26H,1-2H3;1-26H;3-25H,1-2H3
• InChIKey: MDMMONNNOSAVBH-UHFFFAOYSA-N
• XLogP: 30.80
• TPSA: 133.83 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.11
LogP ≤ 5	30.80
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 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 167618869) is 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)ccc2-c2cc3ccccc3cc21.Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)c(C)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5c6ccccc6ccc54)cc3)n2)cc1.

What is the InChIKey of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is MDMMONNNOSAVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4.C41H26N4.C40H29N3/c1-27-21-22-35(28(2)43-27)32-23-33(39-26-31-17-9-10-18-36(31)37-19-11-12-20-38(37)39)25-34(24-32)42-45-40(29-13-5-3-6-14-29)44-41(46-42)30-15-7-4-8-16-30;1-3-13-29(14-4-1)39-42-40(30-15-5-2-6-16-30)44-41(43-39)31-19-23-32(24-20-31)45-35-25-21-27-11-7-9-17-33(27)37(35)38-34-18-10-8-12-28(34)22-26-36(38)45;1-40(2)35-25-32(21-22-33(35)34-23-30-15-9-10-16-31(30)24-36(34)40)39-42-37(28-13-7-4-8-14-28)41-38(43-39)29-19-17-27(18-20-29)26-11-5-3-6-12-26/h3-26H,1-2H3;1-26H;3-25H,1-2H3.

What are the key properties of 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 1717.11 g/mol, XLogP of 30.80, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(11,11-dimethylbenzo[b]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,6-dimethyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]-4,6-diphenyl-1,3,5-triazine;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 167618869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).