2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

C68H50N4O — CID 135189614

IUPAC2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESC1=Cc2cccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cccc7ccccc67)cc5c4c3)c2CC1
InChIInChI=1S/C68H50N4O/c1-5-23-51(24-6-1)69(52-25-7-2-8-26-52)55-35-39-57(40-36-55)71(65-33-17-21-49-19-13-15-31-61(49)65)59-43-45-67-63(47-59)64-48-60(44-46-68(64)73-67)72(66-34-18-22-50-20-14-16-32-62(50)66)58-41-37-56(38-42-58)70(53-27-9-3-10-28-53)54-29-11-4-12-30-54/h1-15,17-31,33-48H,16,32H2
InChIKeyIIXGWBVNRCXTDV-UHFFFAOYSA-N
MW939.18 g/mol
LogP19.58
Rot. Bonds12

About 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (PubChem CID 135189614) has the molecular formula C68H50N4O and a molecular weight of 939.18 g/mol. Its IUPAC name is 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
PubChem CID135189614
Molecular FormulaC68H50N4O
Molecular Weight939.18 g/mol
Exact Mass938.40
IUPAC Name2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESC1=Cc2cccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cccc7ccccc67)cc5c4c3)c2CC1
InChIInChI=1S/C68H50N4O/c1-5-23-51(24-6-1)69(52-25-7-2-8-26-52)55-35-39-57(40-36-55)71(65-33-17-21-49-19-13-15-31-61(49)65)59-43-45-67-63(47-59)64-48-60(44-46-68(64)73-67)72(66-34-18-22-50-20-14-16-32-62(50)66)58-41-37-56(38-42-58)70(53-27-9-3-10-28-53)54-29-11-4-12-30-54/h1-15,17-31,33-48H,16,32H2
InChIKeyIIXGWBVNRCXTDV-UHFFFAOYSA-N
XLogP19.58
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.18
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine with MolForge

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Related Compounds

N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]phenyl]-N-phenyldibenzofuran-2-amine;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-[4-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 165024004
N-[4-[8-[4-(N-naphthalen-1-ylanilino)phenyl]dibenzofuran-2-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 130438409
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
5-N-(4-dibenzofuran-2-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-tris(4-phenylphenyl)benzene-1,3,5-triamine
CID 118604922
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815
1-N-(7,8-dihydronaphthalen-1-yl)-3-N,3-N-dinaphthalen-1-yl-1-N-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-4-yl)benzene-1,3-diamine
CID 163642989
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
2-N,9-N-dinaphthalen-1-yl-2-N,9-N-diphenylnaphtho[2,3-b][1]benzofuran-2,9-diamine
CID 139573022
3-N-(4-dibenzofuran-2-ylphenyl)-1-N,5-N-bis(3-methylphenyl)-3-N-naphthalen-1-yl-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 139393622
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464

Frequently Asked Questions

What is the IUPAC name of 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The IUPAC name of 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (CID 135189614) is 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is C1=Cc2cccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4oc5ccc(N(c6ccc(N(c7ccccc7)c7ccccc7)cc6)c6cccc7ccccc67)cc5c4c3)c2CC1.
What is the InChIKey of 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The InChIKey is IIXGWBVNRCXTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N4O/c1-5-23-51(24-6-1)69(52-25-7-2-8-26-52)55-35-39-57(40-36-55)71(65-33-17-21-49-19-13-15-31-61(49)65)59-43-45-67-63(47-59)64-48-60(44-46-68(64)73-67)72(66-34-18-22-50-20-14-16-32-62(50)66)58-41-37-56(38-42-58)70(53-27-9-3-10-28-53)54-29-11-4-12-30-54/h1-15,17-31,33-48H,16,32H2.
What are the key properties of 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine has a molecular weight of 939.18 g/mol, XLogP of 19.58, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7,8-dihydronaphthalen-1-yl)-8-N-naphthalen-1-yl-2-N,8-N-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is sourced from PubChem (CID 135189614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).