17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

C70H50N2 — CID 145353164

About 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine

17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (PubChem CID 145353164) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.

Molecular Properties

• Compound Name: 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
• PubChem CID: 145353164
• Molecular Formula: C70H50N2
• Molecular Weight: 919.18 g/mol
• Exact Mass: 918.40
• IUPAC Name: 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
• SMILES: C=C/C(=C\C=C/C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)ccc3cc2-4)c1
• InChI: InChI=1S/C70H50N2/c1-3-5-21-48(4-2)50-24-19-30-58(40-50)71(56-26-11-7-12-27-56)60-38-36-52-44-64-65-45-53-37-39-61(72(57-28-13-8-14-29-57)59-31-20-25-51(41-59)49-22-9-6-10-23-49)43-55(53)47-69(65)70(68(64)46-54(52)42-60)66-34-17-15-32-62(66)63-33-16-18-35-67(63)70/h3-47H,2H2,1H3/b5-3-,48-21+
• InChIKey: PJOFSYQNSBJPNH-FIORHVCXSA-N
• XLogP: 19.09
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.18
LogP ≤ 5	19.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?

The IUPAC name of 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine (CID 145353164) is 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine.

What is the SMILES notation for 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?

The canonical SMILES for 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is C=C/C(=C\C=C/C)c1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3cc(N(c5ccccc5)c5cccc(-c6ccccc6)c5)ccc3cc2-4)c1.

What is the InChIKey of 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?

The InChIKey is PJOFSYQNSBJPNH-FIORHVCXSA-N. The full InChI is InChI=1S/C70H50N2/c1-3-5-21-48(4-2)50-24-19-30-58(40-50)71(56-26-11-7-12-27-56)60-38-36-52-44-64-65-45-53-37-39-61(72(57-28-13-8-14-29-57)59-31-20-25-51(41-59)49-22-9-6-10-23-49)43-55(53)47-69(65)70(68(64)46-54(52)42-60)66-34-17-15-32-62(66)63-33-16-18-35-67(63)70/h3-47H,2H2,1H3/b5-3-,48-21+.

What are the key properties of 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine?

17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine has a molecular weight of 919.18 g/mol, XLogP of 19.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine is sourced from PubChem (CID 145353164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).