N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

C63H41NO — CID 140918851

About N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (PubChem CID 140918851) has the molecular formula C63H41NO and a molecular weight of 828.03 g/mol. Its IUPAC name is N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.

Molecular Properties

• Compound Name: N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
• PubChem CID: 140918851
• Molecular Formula: C63H41NO
• Molecular Weight: 828.03 g/mol
• Exact Mass: 827.32
• IUPAC Name: N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C65c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C63H41NO/c1-3-14-42(15-4-1)43-26-28-44(29-27-43)45-30-32-46(33-31-45)47-34-38-51(39-35-47)64(50-18-5-2-6-19-50)59-25-13-24-56-60(59)54-22-11-12-23-55(54)63(56)57-40-36-48-16-7-9-20-52(48)61(57)65-62-53-21-10-8-17-49(53)37-41-58(62)63/h1-41H
• InChIKey: MKIDUBMQZWNYAF-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.03
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

The IUPAC name of N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine (CID 140918851) is N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine.

What is the SMILES notation for N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

The canonical SMILES for N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C65c6ccc7ccccc7c6Oc6c5ccc5ccccc65)cc4)cc3)cc2)cc1.

What is the InChIKey of N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

The InChIKey is MKIDUBMQZWNYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO/c1-3-14-42(15-4-1)43-26-28-44(29-27-43)45-30-32-46(33-31-45)47-34-38-51(39-35-47)64(50-18-5-2-6-19-50)59-25-13-24-56-60(59)54-22-11-12-23-55(54)63(56)57-40-36-48-16-7-9-20-52(48)61(57)65-62-53-21-10-8-17-49(53)37-41-58(62)63/h1-41H.

What are the key properties of N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine?

N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine has a molecular weight of 828.03 g/mol, XLogP of 16.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine is sourced from PubChem (CID 140918851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).