19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C110H74N2 — CID 159812183

About 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 159812183) has the molecular formula C110H74N2 and a molecular weight of 1423.82 g/mol. Its IUPAC name is 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 159812183
• Molecular Formula: C110H74N2
• Molecular Weight: 1423.82 g/mol
• Exact Mass: 1422.59
• IUPAC Name: 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3cc4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c4c4ccccc34)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cc4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c4c4ccccc34)cc21
• InChI: InChI=1S/2C55H37N/c1-55(2)49-31-35(39-25-14-16-34-15-6-7-19-38(34)39)27-29-42(49)43-30-28-36(32-50(43)55)47-33-48-41-21-9-11-23-45(41)54-53(52(48)44-22-10-8-20-40(44)47)46-24-12-13-26-51(46)56(54)37-17-4-3-5-18-37;1-55(2)49-31-37(36-25-24-34-14-6-7-15-35(34)30-36)26-28-42(49)43-29-27-38(32-50(43)55)47-33-48-41-19-9-11-21-45(41)54-53(52(48)44-20-10-8-18-40(44)47)46-22-12-13-23-51(46)56(54)39-16-4-3-5-17-39/h2*3-33H,1-2H3
• InChIKey: NLDYVJPPZOUYGO-UHFFFAOYSA-N
• XLogP: 30.07
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1423.82
LogP ≤ 5	30.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 159812183) is 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3cc4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c4c4ccccc34)cc21.CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cc4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c4c4ccccc34)cc21.

What is the InChIKey of 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The InChIKey is NLDYVJPPZOUYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H37N/c1-55(2)49-31-35(39-25-14-16-34-15-6-7-19-38(34)39)27-29-42(49)43-30-28-36(32-50(43)55)47-33-48-41-21-9-11-23-45(41)54-53(52(48)44-22-10-8-20-40(44)47)46-24-12-13-26-51(46)56(54)37-17-4-3-5-18-37;1-55(2)49-31-37(36-25-24-34-14-6-7-15-35(34)30-36)26-28-42(49)43-29-27-38(32-50(43)55)47-33-48-41-19-9-11-21-45(41)54-53(52(48)44-20-10-8-18-40(44)47)46-22-12-13-23-51(46)56(54)39-16-4-3-5-17-39/h2*3-33H,1-2H3.

What are the key properties of 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 1423.82 g/mol, XLogP of 30.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene;19-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 159812183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).