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

C63H39NO2 — CID 177121793

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C63H39NO2/c1-3-17-43(18-4-1)63(44-19-5-2-6-20-44)55-26-12-11-23-54(55)59-56(63)27-14-28-57(59)64(46-35-38-50-52-36-31-40-15-7-9-21-47(40)60(52)65-58(50)39-46)45-33-29-42(30-34-45)49-24-13-25-51-53-37-32-41-16-8-10-22-48(41)62(53)66-61(49)51/h1-39H
InChIKeySNJXDOLFVQOTLN-UHFFFAOYSA-N
MW842.01 g/mol
LogP17.29
Rot. Bonds6

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

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 177121793) has the molecular formula C63H39NO2 and a molecular weight of 842.01 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID177121793
Molecular FormulaC63H39NO2
Molecular Weight842.01 g/mol
Exact Mass841.30
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)cccc32)cc1
InChIInChI=1S/C63H39NO2/c1-3-17-43(18-4-1)63(44-19-5-2-6-20-44)55-26-12-11-23-54(55)59-56(63)27-14-28-57(59)64(46-35-38-50-52-36-31-40-15-7-9-21-47(40)60(52)65-58(50)39-46)45-33-29-42(30-34-45)49-24-13-25-51-53-37-32-41-16-8-10-22-48(41)62(53)66-61(49)51/h1-39H
InChIKeySNJXDOLFVQOTLN-UHFFFAOYSA-N
XLogP17.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.01
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine with MolForge

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Related Compounds

N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121861
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121797
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277095
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177122214
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 166939309
9-(4-dibenzofuran-4-ylphenyl)-N,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769017
N-[2-[2-[7-[4-(4-carbazol-9-yl-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 174289441
N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167330275

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 177121793) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)cccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is SNJXDOLFVQOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39NO2/c1-3-17-43(18-4-1)63(44-19-5-2-6-20-44)55-26-12-11-23-54(55)59-56(63)27-14-28-57(59)64(46-35-38-50-52-36-31-40-15-7-9-21-47(40)60(52)65-58(50)39-46)45-33-29-42(30-34-45)49-24-13-25-51-53-37-32-41-16-8-10-22-48(41)62(53)66-61(49)51/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 842.01 g/mol, XLogP of 17.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 177121793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).