N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

C70H42N2 — CID 135168359

About N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (PubChem CID 135168359) has the molecular formula C70H42N2 and a molecular weight of 911.12 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• PubChem CID: 135168359
• Molecular Formula: C70H42N2
• Molecular Weight: 911.12 g/mol
• Exact Mass: 910.33
• IUPAC Name: N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(N(c1ccc3ccccc3c1)c1cccc3c1-c1ccccc1C31c3ccccc3-n3c4ccccc4c4cccc1c43)c1ccccc21
• InChI: InChI=1S/C70H42N2/c1-2-20-44-41-45(40-39-43(44)19-1)71(65-42-61-66(50-25-4-3-23-48(50)65)52-26-7-12-31-56(52)69(61)54-29-10-5-21-46(54)47-22-6-11-30-55(47)69)64-38-18-34-59-67(64)53-27-8-13-32-57(53)70(59)58-33-14-16-37-63(58)72-62-36-15-9-24-49(62)51-28-17-35-60(70)68(51)72/h1-42H
• InChIKey: JIEJCBQQOVMMJP-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.12
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The IUPAC name of N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine (CID 135168359) is N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine.

What is the SMILES notation for N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The canonical SMILES for N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(N(c1ccc3ccccc3c1)c1cccc3c1-c1ccccc1C31c3ccccc3-n3c4ccccc4c4cccc1c43)c1ccccc21.

What is the InChIKey of N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

The InChIKey is JIEJCBQQOVMMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N2/c1-2-20-44-41-45(40-39-43(44)19-1)71(65-42-61-66(50-25-4-3-23-48(50)65)52-26-7-12-31-56(52)69(61)54-29-10-5-21-46(54)47-22-6-11-30-55(47)69)64-38-18-34-59-67(64)53-27-8-13-32-57(53)70(59)58-33-14-16-37-63(58)72-62-36-15-9-24-49(62)51-28-17-35-60(70)68(51)72/h1-42H.

What are the key properties of N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine?

N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine has a molecular weight of 911.12 g/mol, XLogP of 17.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 135168359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).