10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine

C58H42N2 — CID 135140047

About 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine

10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine (PubChem CID 135140047) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine.

Molecular Properties

• Compound Name: 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine
• PubChem CID: 135140047
• Molecular Formula: C58H42N2
• Molecular Weight: 766.99 g/mol
• Exact Mass: 766.33
• IUPAC Name: 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21
• InChI: InChI=1S/C58H42N2/c1-57(2)48-22-10-11-23-50(48)58(51-24-12-14-27-55(51)60-54-26-13-9-20-46(54)47-21-15-25-52(58)56(47)60)53-38-45(36-37-49(53)57)59(43-32-28-41(29-33-43)39-16-5-3-6-17-39)44-34-30-42(31-35-44)40-18-7-4-8-19-40/h3-38H,1-2H3
• InChIKey: IGCBCVUSSJYPRT-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.99
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine?

The IUPAC name of 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine (CID 135140047) is 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine.

What is the SMILES notation for 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine?

The canonical SMILES for 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine is CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc21.

What is the InChIKey of 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine?

The InChIKey is IGCBCVUSSJYPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-57(2)48-22-10-11-23-50(48)58(51-24-12-14-27-55(51)60-54-26-13-9-20-46(54)47-21-15-25-52(58)56(47)60)53-38-45(36-37-49(53)57)59(43-32-28-41(29-33-43)39-16-5-3-6-17-39)44-34-30-42(31-35-44)40-18-7-4-8-19-40/h3-38H,1-2H3.

What are the key properties of 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine?

10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine has a molecular weight of 766.99 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10',10'-dimethyl-N,N-bis(4-phenylphenyl)spiro[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'-anthracene]-2'-amine is sourced from PubChem (CID 135140047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).