10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one

C58H41N3O — CID 142288659

IUPAC10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4ccc5c(c4)c4cc(N6c7ccccc7N(c7ccccc7)c7ccccc76)ccc4n5-c4ccccc4)c3)cc21
InChIInChI=1S/C58H41N3O/c1-58(2)49-23-10-9-22-45(49)57(62)46-31-28-41(36-50(46)58)39-17-15-16-38(34-39)40-29-32-51-47(35-40)48-37-44(30-33-52(48)59(51)42-18-5-3-6-19-42)61-55-26-13-11-24-53(55)60(43-20-7-4-8-21-43)54-25-12-14-27-56(54)61/h3-37H,1-2H3
InChIKeyDRYDTZCKORXEQL-UHFFFAOYSA-N
MW795.99 g/mol
LogP15.24
Rot. Bonds5

About 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one

10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one (PubChem CID 142288659) has the molecular formula C58H41N3O and a molecular weight of 795.99 g/mol. Its IUPAC name is 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one.

Molecular Properties

Compound Name10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
PubChem CID142288659
Molecular FormulaC58H41N3O
Molecular Weight795.99 g/mol
Exact Mass795.32
IUPAC Name10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4ccc5c(c4)c4cc(N6c7ccccc7N(c7ccccc7)c7ccccc76)ccc4n5-c4ccccc4)c3)cc21
InChIInChI=1S/C58H41N3O/c1-58(2)49-23-10-9-22-45(49)57(62)46-31-28-41(36-50(46)58)39-17-15-16-38(34-39)40-29-32-51-47(35-40)48-37-44(30-33-52(48)59(51)42-18-5-3-6-19-42)61-55-26-13-11-24-53(55)60(43-20-7-4-8-21-43)54-25-12-14-27-56(54)61/h3-37H,1-2H3
InChIKeyDRYDTZCKORXEQL-UHFFFAOYSA-N
XLogP15.24
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10,10-dimethyl-3-[4-[10-phenyl-2-(9-phenylcarbazol-3-yl)-8-(3-phenylphenyl)phenazin-5-yl]phenyl]anthracen-9-one
CID 142287992
3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one
CID 142288106
8-[4-(9,9-dimethylacridin-10-yl)phenyl]-10,10-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]indole
CID 121274988
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
CID 142288083
2-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-5-[9-[3-[3-[5-(6,9-diphenylcarbazol-3-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]phenyl]-6-phenylcarbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 139524627
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
2'-[3-[3-[3-(7,7-dimethyl-2-phenylindeno[2,1-b]carbazol-5-yl)-6-phenylcarbazol-9-yl]phenyl]phenyl]-5'-(6,9-diphenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 167041702
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one?
The IUPAC name of 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one (CID 142288659) is 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one.
What is the SMILES notation for 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one?
The canonical SMILES for 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one is CC1(C)c2ccccc2C(=O)c2ccc(-c3cccc(-c4ccc5c(c4)c4cc(N6c7ccccc7N(c7ccccc7)c7ccccc76)ccc4n5-c4ccccc4)c3)cc21.
What is the InChIKey of 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one?
The InChIKey is DRYDTZCKORXEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-58(2)49-23-10-9-22-45(49)57(62)46-31-28-41(36-50(46)58)39-17-15-16-38(34-39)40-29-32-51-47(35-40)48-37-44(30-33-52(48)59(51)42-18-5-3-6-19-42)61-55-26-13-11-24-53(55)60(43-20-7-4-8-21-43)54-25-12-14-27-56(54)61/h3-37H,1-2H3.
What are the key properties of 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one?
10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one has a molecular weight of 795.99 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one is sourced from PubChem (CID 142288659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).