1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine

C70H50N2 — CID 170690165

About 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine

1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine (PubChem CID 170690165) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
• PubChem CID: 170690165
• Molecular Formula: C70H50N2
• Molecular Weight: 919.18 g/mol
• Exact Mass: 918.40
• IUPAC Name: 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)ccc2-c2c1ccc1c2-c2ccccc2C12c1ccccc1-c1ccccc12
• InChI: InChI=1S/C70H50N2/c1-69(2)63-41-42-64-68(58-34-17-21-37-62(58)70(64)60-35-19-15-32-56(60)57-33-16-20-36-61(57)70)67(63)59-40-39-52(46-65(59)69)71(50-27-11-5-12-28-50)53-43-49(47-23-7-3-8-24-47)44-54(45-53)72(51-29-13-6-14-30-51)66-38-22-18-31-55(66)48-25-9-4-10-26-48/h3-46H,1-2H3
• InChIKey: HIKZDYALNBIRQW-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.18
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?

The IUPAC name of 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine (CID 170690165) is 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine.

What is the SMILES notation for 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?

The canonical SMILES for 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine is CC1(C)c2cc(N(c3ccccc3)c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4-c4ccccc4)c3)ccc2-c2c1ccc1c2-c2ccccc2C12c1ccccc1-c1ccccc12.

What is the InChIKey of 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?

The InChIKey is HIKZDYALNBIRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2/c1-69(2)63-41-42-64-68(58-34-17-21-37-62(58)70(64)60-35-19-15-32-56(60)57-33-16-20-36-61(57)70)67(63)59-40-39-52(46-65(59)69)71(50-27-11-5-12-28-50)53-43-49(47-23-7-3-8-24-47)44-54(45-53)72(51-29-13-6-14-30-51)66-38-22-18-31-55(66)48-25-9-4-10-26-48/h3-46H,1-2H3.

What are the key properties of 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine?

1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine has a molecular weight of 919.18 g/mol, XLogP of 18.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 170690165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).