10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one

C56H38N2O2 — CID 142288778

IUPAC10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-n4c5c(c6c7c(ccc64)N(c4ccccc4)c4ccccc4O7)C=CCC5)c3)ccc21
InChIInChI=1S/C56H38N2O2/c59-54-43-25-10-12-27-46(43)56(39-18-4-1-5-19-39,40-20-6-2-7-21-40)47-36-38(31-32-44(47)54)37-17-16-24-42(35-37)58-48-28-13-11-26-45(48)53-50(58)33-34-51-55(53)60-52-30-15-14-29-49(52)57(51)41-22-8-3-9-23-41/h1-12,14-27,29-36H,13,28H2
InChIKeySQSJWCJPECSHKS-UHFFFAOYSA-N
MW770.93 g/mol
LogP13.76
Rot. Bonds5

About 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one

10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one (PubChem CID 142288778) has the molecular formula C56H38N2O2 and a molecular weight of 770.93 g/mol. Its IUPAC name is 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one.

Molecular Properties

Compound Name10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one
PubChem CID142288778
Molecular FormulaC56H38N2O2
Molecular Weight770.93 g/mol
Exact Mass770.29
IUPAC Name10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-n4c5c(c6c7c(ccc64)N(c4ccccc4)c4ccccc4O7)C=CCC5)c3)ccc21
InChIInChI=1S/C56H38N2O2/c59-54-43-25-10-12-27-46(43)56(39-18-4-1-5-19-39,40-20-6-2-7-21-40)47-36-38(31-32-44(47)54)37-17-16-24-42(35-37)58-48-28-13-11-26-45(48)53-50(58)33-34-51-55(53)60-52-30-15-14-29-49(52)57(51)41-22-8-3-9-23-41/h1-12,14-27,29-36H,13,28H2
InChIKeySQSJWCJPECSHKS-UHFFFAOYSA-N
XLogP13.76
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.93
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 89098360
CID 89098360
3-[3-[3-phenothiazin-10-yl-6-(N-phenylanilino)carbazol-9-yl]phenyl]-10,10-diphenylanthracen-9-one
CID 142288749
5,8,8-triphenyl-3-(9-phenylcarbazol-3-yl)indeno[2,1-c]phenoxazine
CID 118668301
5,8,8-triphenylindeno[2,1-c]phenoxazine
CID 118668288
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343
10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
CID 142288659
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
4-[9-[4-[10-(9,9-diphenylfluoren-2-yl)anthracen-9-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[9-[2-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[3-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]aniline;N,N-diphenyl-4-[9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazol-3-yl]aniline
CID 160626025
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
2-(9-cyclohexa-1,5-dien-1-yl-9,10-diphenylacridin-2-yl)-9,9,10-triphenylacridine
CID 70876887
N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-2-ylaniline
CID 134504787
4-(4-diphenylphosphorylphenyl)-9-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]carbazole
CID 163512685

Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one?
The IUPAC name of 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one (CID 142288778) is 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one.
What is the SMILES notation for 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one?
The canonical SMILES for 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one is O=C1c2ccccc2C(c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-n4c5c(c6c7c(ccc64)N(c4ccccc4)c4ccccc4O7)C=CCC5)c3)ccc21.
What is the InChIKey of 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one?
The InChIKey is SQSJWCJPECSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O2/c59-54-43-25-10-12-27-46(43)56(39-18-4-1-5-19-39,40-20-6-2-7-21-40)47-36-38(31-32-44(47)54)37-17-16-24-42(35-37)58-48-28-13-11-26-45(48)53-50(58)33-34-51-55(53)60-52-30-15-14-29-49(52)57(51)41-22-8-3-9-23-41/h1-12,14-27,29-36H,13,28H2.
What are the key properties of 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one?
10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one has a molecular weight of 770.93 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one is sourced from PubChem (CID 142288778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).