9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine

C77H52N2 — CID 169023056

About 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine

9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine (PubChem CID 169023056) has the molecular formula C77H52N2 and a molecular weight of 1005.28 g/mol. Its IUPAC name is 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine
• PubChem CID: 169023056
• Molecular Formula: C77H52N2
• Molecular Weight: 1005.28 g/mol
• Exact Mass: 1004.41
• IUPAC Name: 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4ccc(-c5ccc6c7c5C(C)(c5ccc8ccccc8c5)c5ccc8c9ccccc9n(c8c5-7)-c5ccccc5-6)cc4c3)cccc21
• InChI: InChI=1S/C77H52N2/c1-76(2)65-25-11-8-24-64(65)71-66(76)26-15-29-70(71)78(57-21-14-20-52(45-57)53-32-30-47-16-4-6-18-50(47)42-53)58-37-35-49-31-33-54(43-55(49)46-58)59-38-39-62-60-22-9-12-27-68(60)79-69-28-13-10-23-61(69)63-40-41-67-73(75(63)79)72(62)74(59)77(67,3)56-36-34-48-17-5-7-19-51(48)44-56/h4-46H,1-3H3
• InChIKey: DWCZDJUQZPWWHE-UHFFFAOYSA-N
• XLogP: 20.67
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1005.28
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine?

The IUPAC name of 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine (CID 169023056) is 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine.

What is the SMILES notation for 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine?

The canonical SMILES for 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3cccc(-c4ccc5ccccc5c4)c3)c3ccc4ccc(-c5ccc6c7c5C(C)(c5ccc8ccccc8c5)c5ccc8c9ccccc9n(c8c5-7)-c5ccccc5-6)cc4c3)cccc21.

What is the InChIKey of 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine?

The InChIKey is DWCZDJUQZPWWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N2/c1-76(2)65-25-11-8-24-64(65)71-66(76)26-15-29-70(71)78(57-21-14-20-52(45-57)53-32-30-47-16-4-6-18-50(47)42-53)58-37-35-49-31-33-54(43-55(49)46-58)59-38-39-62-60-22-9-12-27-68(60)79-69-28-13-10-23-61(69)63-40-41-67-73(75(63)79)72(62)74(59)77(67,3)56-36-34-48-17-5-7-19-51(48)44-56/h4-46H,1-3H3.

What are the key properties of 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine?

9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine has a molecular weight of 1005.28 g/mol, XLogP of 20.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[7-(26-methyl-26-naphthalen-2-yl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-4-yl)naphthalen-2-yl]-N-(3-naphthalen-2-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 169023056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).