10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one

C63H44N2O — CID 134445098

IUPAC10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one
SMILESC=C1c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2C(=O)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C63H44N2O/c1-44-61-42-57(64(53-30-22-49(23-31-53)45-14-6-2-7-15-45)54-32-24-50(25-33-54)46-16-8-3-9-17-46)38-40-59(61)63(66)60-41-39-58(43-62(44)60)65(55-34-26-51(27-35-55)47-18-10-4-11-19-47)56-36-28-52(29-37-56)48-20-12-5-13-21-48/h2-43H,1H2
InChIKeyAPWMQVDSDPPKQB-UHFFFAOYSA-N
MW845.06 g/mol
LogP16.90
Rot. Bonds10

About 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one

10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one (PubChem CID 134445098) has the molecular formula C63H44N2O and a molecular weight of 845.06 g/mol. Its IUPAC name is 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one.

Molecular Properties

Compound Name10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one
PubChem CID134445098
Molecular FormulaC63H44N2O
Molecular Weight845.06 g/mol
Exact Mass844.35
IUPAC Name10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one
SMILESC=C1c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2C(=O)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C63H44N2O/c1-44-61-42-57(64(53-30-22-49(23-31-53)45-14-6-2-7-15-45)54-32-24-50(25-33-54)46-16-8-3-9-17-46)38-40-59(61)63(66)60-41-39-58(43-62(44)60)65(55-34-26-51(27-35-55)47-18-10-4-11-19-47)56-36-28-52(29-37-56)48-20-12-5-13-21-48/h2-43H,1H2
InChIKeyAPWMQVDSDPPKQB-UHFFFAOYSA-N
XLogP16.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 516.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
2-[4-(N-phenylanilino)phenyl]tetracene-5,12-dione
CID 155243858
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one?
The IUPAC name of 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one (CID 134445098) is 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one.
What is the SMILES notation for 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one?
The canonical SMILES for 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one is C=C1c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2C(=O)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one?
The InChIKey is APWMQVDSDPPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2O/c1-44-61-42-57(64(53-30-22-49(23-31-53)45-14-6-2-7-15-45)54-32-24-50(25-33-54)46-16-8-3-9-17-46)38-40-59(61)63(66)60-41-39-58(43-62(44)60)65(55-34-26-51(27-35-55)47-18-10-4-11-19-47)56-36-28-52(29-37-56)48-20-12-5-13-21-48/h2-43H,1H2.
What are the key properties of 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one?
10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one has a molecular weight of 845.06 g/mol, XLogP of 16.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylidene-3,6-bis(4-phenyl-N-(4-phenylphenyl)anilino)anthracen-9-one is sourced from PubChem (CID 134445098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).