2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene

C122H84N2 — CID 58131816

About 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene

2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene (PubChem CID 58131816) has the molecular formula C122H84N2 and a molecular weight of 1578.03 g/mol. Its IUPAC name is 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene.

Molecular Properties

• Compound Name: 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
• PubChem CID: 58131816
• Molecular Formula: C122H84N2
• Molecular Weight: 1578.03 g/mol
• Exact Mass: 1576.66
• IUPAC Name: 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc34)cc21
• InChI: InChI=1S/C122H84N2/c1-119(2)103-57-33-29-53-89(103)93-65-61-81(69-107(93)119)113-97-73-101-112(124(117(79-41-17-7-18-42-79)115(101)77-37-13-5-14-38-77)88-64-68-96-92-56-32-36-60-106(92)122(110(96)72-88,85-49-25-11-26-50-85)86-51-27-12-28-52-86)76-100(97)114(82-62-66-94-90-54-30-34-58-104(90)120(3,4)108(94)70-82)98-74-102-111(75-99(98)113)123(118(80-43-19-8-20-44-80)116(102)78-39-15-6-16-40-78)87-63-67-95-91-55-31-35-59-105(91)121(109(95)71-87,83-45-21-9-22-46-83)84-47-23-10-24-48-84/h5-76H,1-4H3
• InChIKey: OMTQVTAKDVCBLR-UHFFFAOYSA-N
• XLogP: 31.22
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1578.03
LogP ≤ 5	31.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?

The IUPAC name of 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene (CID 58131816) is 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene.

What is the SMILES notation for 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?

The canonical SMILES for 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene is CC1(C)c2ccccc2-c2ccc(-c3c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(-c6ccccc6)c(-c6ccccc6)n(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5cc34)cc21.

What is the InChIKey of 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?

The InChIKey is OMTQVTAKDVCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H84N2/c1-119(2)103-57-33-29-53-89(103)93-65-61-81(69-107(93)119)113-97-73-101-112(124(117(79-41-17-7-18-42-79)115(101)77-37-13-5-14-38-77)88-64-68-96-92-56-32-36-60-106(92)122(110(96)72-88,85-49-25-11-26-50-85)86-51-27-12-28-52-86)76-100(97)114(82-62-66-94-90-54-30-34-58-104(90)120(3,4)108(94)70-82)98-74-102-111(75-99(98)113)123(118(80-43-19-8-20-44-80)116(102)78-39-15-6-16-40-78)87-63-67-95-91-55-31-35-59-105(91)121(109(95)71-87,83-45-21-9-22-46-83)84-47-23-10-24-48-84/h5-76H,1-4H3.

What are the key properties of 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene?

2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene has a molecular weight of 1578.03 g/mol, XLogP of 31.22, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,12-bis(9,9-dimethylfluoren-2-yl)-6,16-bis(9,9-diphenylfluoren-2-yl)-7,8,17,18-tetraphenyl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),2,4,7,9,11,13,15(19),17-nonaene is sourced from PubChem (CID 58131816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).