N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

C64H43NO — CID 158852047

IUPACN-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C64H43NO/c1-6-20-44(21-7-1)50-30-18-31-52(42-50)65(53-40-41-56-55-32-16-17-35-58(55)66-59(56)43-53)51-38-36-45(37-39-51)54-33-19-34-57-60(46-22-8-2-9-23-46)61(47-24-10-3-11-25-47)62(48-26-12-4-13-27-48)63(64(54)57)49-28-14-5-15-29-49/h1-43H
InChIKeyFTCZRWDSFXJREB-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (PubChem CID 158852047) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
PubChem CID158852047
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C64H43NO/c1-6-20-44(21-7-1)50-30-18-31-52(42-50)65(53-40-41-56-55-32-16-17-35-58(55)66-59(56)43-53)51-38-36-45(37-39-51)54-33-19-34-57-60(46-22-8-2-9-23-46)61(47-24-10-3-11-25-47)62(48-26-12-4-13-27-48)63(64(54)57)49-28-14-5-15-29-49/h1-43H
InChIKeyFTCZRWDSFXJREB-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline
CID 129130047
N-(4-dibenzofuran-1-ylphenyl)-9,10-diphenyl-N-(3-phenylphenyl)phenanthren-2-amine
CID 169063199
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
N-(4-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
CID 171050143

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (CID 158852047) is N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4cccc5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c45)cc3)c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is FTCZRWDSFXJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-6-20-44(21-7-1)50-30-18-31-52(42-50)65(53-40-41-56-55-32-16-17-35-58(55)66-59(56)43-53)51-38-36-45(37-39-51)54-33-19-34-57-60(46-22-8-2-9-23-46)61(47-24-10-3-11-25-47)62(48-26-12-4-13-27-48)63(64(54)57)49-28-14-5-15-29-49/h1-43H.
What are the key properties of N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-[4-(5,6,7,8-tetraphenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 158852047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).