7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one

C79H60N4O6 — CID 144766011

IUPAC7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one
SMILESCc1ccc(N(c2ccc3cc(C4=Nc5cc(C6(c7ccc8oc(-c9cc%10ccc(N(c%11ccc(C)cc%11C)c%11ccc(C)cc%11C)cc%10oc9=O)nc8c7)c7ccccc7-c7ccccc76)ccc5C5OC45)c(=O)oc3c2)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C79H60N4O6/c1-43-17-28-66(47(5)33-43)82(67-29-18-44(2)34-48(67)6)55-25-21-51-37-60(77(84)87-71(51)41-55)73-75-74(89-75)59-27-23-53(39-64(59)80-73)79(62-15-11-9-13-57(62)58-14-10-12-16-63(58)79)54-24-32-70-65(40-54)81-76(86-70)61-38-52-22-26-56(42-72(52)88-78(61)85)83(68-30-19-45(3)35-49(68)7)69-31-20-46(4)36-50(69)8/h9-42,74-75H,1-8H3
InChIKeyIZDREXMDFFFNTM-UHFFFAOYSA-N
MW1161.37 g/mol
LogP19.05
Rot. Bonds10

About 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one

7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one (PubChem CID 144766011) has the molecular formula C79H60N4O6 and a molecular weight of 1161.37 g/mol. Its IUPAC name is 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one.

Molecular Properties

Compound Name7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one
PubChem CID144766011
Molecular FormulaC79H60N4O6
Molecular Weight1161.37 g/mol
Exact Mass1160.45
IUPAC Name7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one
SMILESCc1ccc(N(c2ccc3cc(C4=Nc5cc(C6(c7ccc8oc(-c9cc%10ccc(N(c%11ccc(C)cc%11C)c%11ccc(C)cc%11C)cc%10oc9=O)nc8c7)c7ccccc7-c7ccccc76)ccc5C5OC45)c(=O)oc3c2)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C79H60N4O6/c1-43-17-28-66(47(5)33-43)82(67-29-18-44(2)34-48(67)6)55-25-21-51-37-60(77(84)87-71(51)41-55)73-75-74(89-75)59-27-23-53(39-64(59)80-73)79(62-15-11-9-13-57(62)58-14-10-12-16-63(58)79)54-24-32-70-65(40-54)81-76(86-70)61-38-52-22-26-56(42-72(52)88-78(61)85)83(68-30-19-45(3)35-49(68)7)69-31-20-46(4)36-50(69)8/h9-42,74-75H,1-8H3
InChIKeyIZDREXMDFFFNTM-UHFFFAOYSA-N
XLogP19.05
TPSA117.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.37
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one with MolForge

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Related Compounds

7-(N-ethyl-2,4-dimethylanilino)-3-[5-[2-[2-[7-(N-ethyl-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-benzoxazol-2-yl]chromen-2-one
CID 155461726
3-(5-methyl-1,3-benzoxazol-2-yl)chromen-2-one
CID 132599596
2-phenyl-5-[9-(2-phenyl-1,3-benzoxazol-5-yl)fluoren-9-yl]-1,3-benzoxazole
CID 171048416
3-(1,3-benzoxazol-2-yl)-7-[2-(dimethylamino)ethyl-methylamino]chromen-2-one
CID 71622685
7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 164938471
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
N,N-bis(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-1,3-benzoxazol-5-amine
CID 168731448
7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494010
N-(9,9-diphenylfluoren-2-yl)-2-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazol-5-amine
CID 168731622
N-(2,4-dimethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 137494447
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 174262107
4-methyl-N-(4-methylnaphthalen-1-yl)-N-[6-[10-[4-(9-phenylfluoren-9-yl)phenyl]anthracen-9-yl]naphthalen-2-yl]naphthalen-1-amine
CID 168837021

Frequently Asked Questions

What is the IUPAC name of 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one?
The IUPAC name of 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one (CID 144766011) is 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one.
What is the SMILES notation for 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one?
The canonical SMILES for 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one is Cc1ccc(N(c2ccc3cc(C4=Nc5cc(C6(c7ccc8oc(-c9cc%10ccc(N(c%11ccc(C)cc%11C)c%11ccc(C)cc%11C)cc%10oc9=O)nc8c7)c7ccccc7-c7ccccc76)ccc5C5OC45)c(=O)oc3c2)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one?
The InChIKey is IZDREXMDFFFNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H60N4O6/c1-43-17-28-66(47(5)33-43)82(67-29-18-44(2)34-48(67)6)55-25-21-51-37-60(77(84)87-71(51)41-55)73-75-74(89-75)59-27-23-53(39-64(59)80-73)79(62-15-11-9-13-57(62)58-14-10-12-16-63(58)79)54-24-32-70-65(40-54)81-76(86-70)61-38-52-22-26-56(42-72(52)88-78(61)85)83(68-30-19-45(3)35-49(68)7)69-31-20-46(4)36-50(69)8/h9-42,74-75H,1-8H3.
What are the key properties of 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one?
7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one has a molecular weight of 1161.37 g/mol, XLogP of 19.05, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-3-[5-[9-[2-[7-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-oxochromen-3-yl]-1,3-benzoxazol-5-yl]fluoren-9-yl]-1a,7b-dihydrooxireno[2,3-c]quinolin-2-yl]chromen-2-one is sourced from PubChem (CID 144766011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).