3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene

C78H52N4 — CID 89115165

About 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene

3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene (PubChem CID 89115165) has the molecular formula C78H52N4 and a molecular weight of 1045.30 g/mol. Its IUPAC name is 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
• PubChem CID: 89115165
• Molecular Formula: C78H52N4
• Molecular Weight: 1045.30 g/mol
• Exact Mass: 1044.42
• IUPAC Name: 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene
• SMILES: CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-n3c4cccnc4c4c5ccccc5c5c(c6ccccc6c6c7ncccc7n(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10ccccc%10c9)ccc7-8)c65)c43)cc21
• InChI: InChI=1S/C78H52N4/c1-77(2)63-41-51(49-27-25-45-15-5-7-17-47(45)39-49)29-33-55(63)57-35-31-53(43-65(57)77)81-67-23-13-37-79-73(67)71-61-21-11-10-20-60(61)70-69(75(71)81)59-19-9-12-22-62(59)72-74-68(24-14-38-80-74)82(76(70)72)54-32-36-58-56-34-30-52(42-64(56)78(3,4)66(58)44-54)50-28-26-46-16-6-8-18-48(46)40-50/h5-44H,1-4H3
• InChIKey: IHUJTPMLXWAAFD-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.30
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

The IUPAC name of 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene (CID 89115165) is 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene.

What is the SMILES notation for 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

The canonical SMILES for 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-n3c4cccnc4c4c5ccccc5c5c(c6ccccc6c6c7ncccc7n(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10ccccc%10c9)ccc7-8)c65)c43)cc21.

What is the InChIKey of 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

The InChIKey is IHUJTPMLXWAAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N4/c1-77(2)63-41-51(49-27-25-45-15-5-7-17-47(45)39-49)29-33-55(63)57-35-31-53(43-65(57)77)81-67-23-13-37-79-73(67)71-61-21-11-10-20-60(61)70-69(75(71)81)59-19-9-12-22-62(59)72-74-68(24-14-38-80-74)82(76(70)72)54-32-36-58-56-34-30-52(42-64(56)78(3,4)66(58)44-54)50-28-26-46-16-6-8-18-48(46)40-50/h5-44H,1-4H3.

What are the key properties of 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene?

3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene has a molecular weight of 1045.30 g/mol, XLogP of 20.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,19-bis(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-3,8,19,24-tetrazaoctacyclo[15.15.0.02,10.04,9.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),4(9),5,7,11,13,15,18(26),20(25),21,23,27,29,31-pentadecaene is sourced from PubChem (CID 89115165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).