3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one

C65H48N2O — CID 142288106

IUPAC3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5ccccc5C(C)(C)c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc54)c4ccccc34)cc21
InChIInChI=1S/C65H48N2O/c1-64(2)54-24-14-13-23-50(54)63(68)51-31-27-45(39-57(51)64)47-32-36-58(49-22-12-11-21-48(47)49)67-61-26-16-15-25-55(61)65(3,4)56-33-28-44(40-62(56)67)43-30-35-60-53(38-43)52-37-42(41-17-7-5-8-18-41)29-34-59(52)66(60)46-19-9-6-10-20-46/h5-40H,1-4H3
InChIKeyBSYYMGVDKURZMO-UHFFFAOYSA-N
MW873.11 g/mol
LogP16.92
Rot. Bonds5

About 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one

3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one (PubChem CID 142288106) has the molecular formula C65H48N2O and a molecular weight of 873.11 g/mol. Its IUPAC name is 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one.

Molecular Properties

Compound Name3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one
PubChem CID142288106
Molecular FormulaC65H48N2O
Molecular Weight873.11 g/mol
Exact Mass872.38
IUPAC Name3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one
SMILESCC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5ccccc5C(C)(C)c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc54)c4ccccc34)cc21
InChIInChI=1S/C65H48N2O/c1-64(2)54-24-14-13-23-50(54)63(68)51-31-27-45(39-57(51)64)47-32-36-58(49-22-12-11-21-48(47)49)67-61-26-16-15-25-55(61)65(3,4)56-33-28-44(40-62(56)67)43-30-35-60-53(38-43)52-37-42(41-17-7-5-8-18-41)29-34-59(52)66(60)46-19-9-6-10-20-46/h5-40H,1-4H3
InChIKeyBSYYMGVDKURZMO-UHFFFAOYSA-N
XLogP16.92
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.11
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
10,10-dimethyl-3-[3-[9-phenyl-6-(10-phenylphenazin-5-yl)carbazol-3-yl]phenyl]anthracen-9-one
CID 142288659
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383
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
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
7,7-dimethyl-5-phenyl-2-(4-phenylnaphthalen-1-yl)indeno[2,1-b]carbazole
CID 170395420
3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
CID 142288083
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
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-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one?
The IUPAC name of 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one (CID 142288106) is 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one.
What is the SMILES notation for 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one?
The canonical SMILES for 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one is CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(N4c5ccccc5C(C)(C)c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc54)c4ccccc34)cc21.
What is the InChIKey of 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one?
The InChIKey is BSYYMGVDKURZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2O/c1-64(2)54-24-14-13-23-50(54)63(68)51-31-27-45(39-57(51)64)47-32-36-58(49-22-12-11-21-48(47)49)67-61-26-16-15-25-55(61)65(3,4)56-33-28-44(40-62(56)67)43-30-35-60-53(38-43)52-37-42(41-17-7-5-8-18-41)29-34-59(52)66(60)46-19-9-6-10-20-46/h5-40H,1-4H3.
What are the key properties of 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one?
3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one has a molecular weight of 873.11 g/mol, XLogP of 16.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(6,9-diphenylcarbazol-3-yl)-9,9-dimethylacridin-10-yl]naphthalen-1-yl]-10,10-dimethylanthracen-9-one is sourced from PubChem (CID 142288106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).