N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine

C61H41NO2 — CID 138582742

About N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine

N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine (PubChem CID 138582742) has the molecular formula C61H41NO2 and a molecular weight of 820.00 g/mol. Its IUPAC name is N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine.

Molecular Properties

• Compound Name: N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
• PubChem CID: 138582742
• Molecular Formula: C61H41NO2
• Molecular Weight: 820.00 g/mol
• Exact Mass: 819.31
• IUPAC Name: N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
• SMILES: C1=CC(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)CC=C1c1ccccc1
• InChI: InChI=1S/C61H41NO2/c1-3-15-40(16-4-1)41-27-31-44(32-28-41)62(45-33-29-43(30-34-45)48-20-8-7-19-47(48)42-17-5-2-6-18-42)46-35-36-57-58(37-46)64-60-39-56-52(38-59(60)63-57)51-23-11-14-26-55(51)61(56)53-24-12-9-21-49(53)50-22-10-13-25-54(50)61/h1-31,33-39,44H,32H2
• InChIKey: MGNZUQIHOJPWTN-UHFFFAOYSA-N
• XLogP: 15.81
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.00
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?

The IUPAC name of N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine (CID 138582742) is N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine.

What is the SMILES notation for N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?

The canonical SMILES for N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine is C1=CC(N(c2ccc(-c3ccccc3-c3ccccc3)cc2)c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)CC=C1c1ccccc1.

What is the InChIKey of N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?

The InChIKey is MGNZUQIHOJPWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO2/c1-3-15-40(16-4-1)41-27-31-44(32-28-41)62(45-33-29-43(30-34-45)48-20-8-7-19-47(48)42-17-5-2-6-18-42)46-35-36-57-58(37-46)64-60-39-56-52(38-59(60)63-57)51-23-11-14-26-55(51)61(56)53-24-12-9-21-49(53)50-22-10-13-25-54(50)61/h1-31,33-39,44H,32H2.

What are the key properties of N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine?

N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine has a molecular weight of 820.00 g/mol, XLogP of 15.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine is sourced from PubChem (CID 138582742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).