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2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline

C69H45NO — CID 177121467

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4cccc(-c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C69H45NO/c1-3-22-51(23-4-1)69(52-24-5-2-6-25-52)64-34-13-11-30-60(64)63-45-50(39-43-65(63)69)57-28-12-14-35-66(57)70(54-26-15-21-49(44-54)56-31-16-20-46-18-7-9-27-55(46)56)53-40-36-48(37-41-53)59-32-17-33-61-62-42-38-47-19-8-10-29-58(47)68(62)71-67(59)61/h1-45H
InChIKeyFPNPAJMDLDUSAV-UHFFFAOYSA-N
MW904.12 g/mol
LogP18.73
Rot. Bonds8

About 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline

2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline (PubChem CID 177121467) has the molecular formula C69H45NO and a molecular weight of 904.12 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
PubChem CID177121467
Molecular FormulaC69H45NO
Molecular Weight904.12 g/mol
Exact Mass903.35
IUPAC Name2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4cccc(-c5cccc6ccccc56)c4)ccc32)cc1
InChIInChI=1S/C69H45NO/c1-3-22-51(23-4-1)69(52-24-5-2-6-25-52)64-34-13-11-30-60(64)63-45-50(39-43-65(63)69)57-28-12-14-35-66(57)70(54-26-15-21-49(44-54)56-31-16-20-46-18-7-9-27-55(46)56)53-40-36-48(37-41-53)59-32-17-33-61-62-42-38-47-19-8-10-29-58(47)68(62)71-67(59)61/h1-45H
InChIKeyFPNPAJMDLDUSAV-UHFFFAOYSA-N
XLogP18.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.12
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline (CID 177121467) is 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline.
What is the SMILES notation for 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The canonical SMILES for 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccccc4N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4cccc(-c5cccc6ccccc56)c4)ccc32)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
The InChIKey is FPNPAJMDLDUSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45NO/c1-3-22-51(23-4-1)69(52-24-5-2-6-25-52)64-34-13-11-30-60(64)63-45-50(39-43-65(63)69)57-28-12-14-35-66(57)70(54-26-15-21-49(44-54)56-31-16-20-46-18-7-9-27-55(46)56)53-40-36-48(37-41-53)59-32-17-33-61-62-42-38-47-19-8-10-29-58(47)68(62)71-67(59)61/h1-45H.
What are the key properties of 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline?
2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline has a molecular weight of 904.12 g/mol, XLogP of 18.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylfluoren-3-yl)-N-(3-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline is sourced from PubChem (CID 177121467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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