N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C64H46N2 — CID 135140257

About N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 135140257) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• PubChem CID: 135140257
• Molecular Formula: C64H46N2
• Molecular Weight: 843.09 g/mol
• Exact Mass: 842.37
• IUPAC Name: N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c21
• InChI: InChI=1S/C64H46N2/c1-63(2)54-24-10-11-25-55(54)64(56-26-12-14-30-60(56)66-59-29-13-9-21-52(59)53-23-16-28-58(64)62(53)66)57-27-15-22-51(61(57)63)47-35-41-50(42-36-47)65(48-37-31-45(32-38-48)43-17-5-3-6-18-43)49-39-33-46(34-40-49)44-19-7-4-8-20-44/h3-42H,1-2H3
• InChIKey: ITCIPGXDROFJGP-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.09
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The IUPAC name of N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 135140257) is N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c21.

What is the InChIKey of N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

The InChIKey is ITCIPGXDROFJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-63(2)54-24-10-11-25-55(54)64(56-26-12-14-30-60(56)66-59-29-13-9-21-52(59)53-23-16-28-58(64)62(53)66)57-27-15-22-51(61(57)63)47-35-41-50(42-36-47)65(48-37-31-45(32-38-48)43-17-5-3-6-18-43)49-39-33-46(34-40-49)44-19-7-4-8-20-44/h3-42H,1-2H3.

What are the key properties of N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?

N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 843.09 g/mol, XLogP of 16.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(9',9'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-anthracene]-1'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 135140257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).