9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine

C63H42N2 — CID 90305750

About 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine

9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine (PubChem CID 90305750) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine
• PubChem CID: 90305750
• Molecular Formula: C63H42N2
• Molecular Weight: 827.04 g/mol
• Exact Mass: 826.33
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine
• SMILES: CC1(C)c2cc(-c3ccc4c5c6ccc7cccc8ccc(cc5n(-c5ccc9ccccc9c5)c4c3)c6c87)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21
• InChI: InChI=1S/C63H42N2/c1-63(2)55-35-44(26-30-51(55)52-33-29-49(38-56(52)63)64(47-18-4-3-5-19-47)57-21-11-15-40-13-8-9-20-50(40)57)45-27-31-53-58(36-45)65(48-28-24-39-12-6-7-14-43(39)34-48)59-37-46-23-22-41-16-10-17-42-25-32-54(62(53)59)61(46)60(41)42/h3-38H,1-2H3
• InChIKey: ACDVHHIFJCYLMT-UHFFFAOYSA-N
• XLogP: 17.43
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.04
LogP ≤ 5	17.43
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 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine (CID 90305750) is 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine is CC1(C)c2cc(-c3ccc4c5c6ccc7cccc8ccc(cc5n(-c5ccc9ccccc9c5)c4c3)c6c87)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine?

The InChIKey is ACDVHHIFJCYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-63(2)55-35-44(26-30-51(55)52-33-29-49(38-56(52)63)64(47-18-4-3-5-19-47)57-21-11-15-40-13-8-9-20-50(40)57)45-27-31-53-58(36-45)65(48-28-24-39-12-6-7-14-43(39)34-48)59-37-46-23-22-41-16-10-17-42-25-32-54(62(53)59)61(46)60(41)42/h3-38H,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine?

9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine has a molecular weight of 827.04 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 90305750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).