10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]

C72H42N4 — CID 163465836

About 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]

10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] (PubChem CID 163465836) has the molecular formula C72H42N4 and a molecular weight of 963.16 g/mol. Its IUPAC name is 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene].

Molecular Properties

• Compound Name: 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
• PubChem CID: 163465836
• Molecular Formula: C72H42N4
• Molecular Weight: 963.16 g/mol
• Exact Mass: 962.34
• IUPAC Name: 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(nc76)C6(c7ccccc7-c7ccccc76)c6ccccc6-8)cc5)cc4)c3nc21
• InChI: InChI=1S/C72H42N4/c1-9-25-59-47(17-1)48-18-2-10-26-60(48)71(59)63-29-13-5-21-51(63)55-41-57-53-23-7-15-31-65(53)75(69(57)73-67(55)71)45-37-33-43(34-38-45)44-35-39-46(40-36-44)76-66-32-16-8-24-54(66)58-42-56-52-22-6-14-30-64(52)72(68(56)74-70(58)76)61-27-11-3-19-49(61)50-20-4-12-28-62(50)72/h1-42H
• InChIKey: BSMSICWFCHLOJA-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.16
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The IUPAC name of 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] (CID 163465836) is 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene].

What is the SMILES notation for 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The canonical SMILES for 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(nc76)C6(c7ccccc7-c7ccccc76)c6ccccc6-8)cc5)cc4)c3nc21.

What is the InChIKey of 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The InChIKey is BSMSICWFCHLOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N4/c1-9-25-59-47(17-1)48-18-2-10-26-60(48)71(59)63-29-13-5-21-51(63)55-41-57-53-23-7-15-31-65(53)75(69(57)73-67(55)71)45-37-33-43(34-38-45)44-35-39-46(40-36-44)76-66-32-16-8-24-54(66)58-42-56-52-22-6-14-30-64(52)72(68(56)74-70(58)76)61-27-11-3-19-49(61)50-20-4-12-28-62(50)72/h1-42H.

What are the key properties of 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] has a molecular weight of 963.16 g/mol, XLogP of 17.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(4-spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-10-ylphenyl)phenyl]spiro[10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] is sourced from PubChem (CID 163465836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).