4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline

C56H41NO — CID 170229367

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline
SMILESC1=Cc2cc(-c3cccc4c3oc3ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc34)c3c(c2CC1)CCC=C3
InChIInChI=1S/C56H41NO/c1-3-12-38(13-4-1)40-22-29-45(30-23-40)57(46-31-24-41(25-32-46)39-14-5-2-6-15-39)47-33-26-42(27-34-47)43-28-35-55-54(36-43)52-21-11-20-51(56(52)58-55)53-37-44-16-7-8-17-48(44)49-18-9-10-19-50(49)53/h1-7,10-16,19-37H,8-9,17-18H2
InChIKeyZHIUHWNFFJUZRF-UHFFFAOYSA-N
MW743.95 g/mol
LogP15.64
Rot. Bonds7

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline (PubChem CID 170229367) has the molecular formula C56H41NO and a molecular weight of 743.95 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline
PubChem CID170229367
Molecular FormulaC56H41NO
Molecular Weight743.95 g/mol
Exact Mass743.32
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline
SMILESC1=Cc2cc(-c3cccc4c3oc3ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc34)c3c(c2CC1)CCC=C3
InChIInChI=1S/C56H41NO/c1-3-12-38(13-4-1)40-22-29-45(30-23-40)57(46-31-24-41(25-32-46)39-14-5-2-6-15-39)47-33-26-42(27-34-47)43-28-35-55-54(36-43)52-21-11-20-51(56(52)58-55)53-37-44-16-7-8-17-48(44)49-18-9-10-19-50(49)53/h1-7,10-16,19-37H,8-9,17-18H2
InChIKeyZHIUHWNFFJUZRF-UHFFFAOYSA-N
XLogP15.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168805047
N-[4-(6-phenanthren-9-yldibenzofuran-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130208153
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
4-dibenzofuran-4-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine
CID 58510698
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
4-phenanthren-3-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804844
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline (CID 170229367) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline is C1=Cc2cc(-c3cccc4c3oc3ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc34)c3c(c2CC1)CCC=C3.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
The InChIKey is ZHIUHWNFFJUZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41NO/c1-3-12-38(13-4-1)40-22-29-45(30-23-40)57(46-31-24-41(25-32-46)39-14-5-2-6-15-39)47-33-26-42(27-34-47)43-28-35-55-54(36-43)52-21-11-20-51(56(52)58-55)53-37-44-16-7-8-17-48(44)49-18-9-10-19-50(49)53/h1-7,10-16,19-37H,8-9,17-18H2.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline has a molecular weight of 743.95 g/mol, XLogP of 15.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(3,4,5,6-tetrahydrophenanthren-9-yl)dibenzofuran-2-yl]phenyl]aniline is sourced from PubChem (CID 170229367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).