2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine

C106H77N7O4S — CID 157472369

IUPAC2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine
SMILESCC1(C)c2cc(N3c4ccccc4Oc4ccc5ccccc5c43)ccc2S(=O)(=O)c2ccc(N3c4ccccc4C(C)(C)c4ccc5ccccc5c43)cc21.CC1(C)c2ccccc2N(c2cccc(N3c4ccccc4Oc4ccc5ccccc5c43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1ccc1ccccc21
InChIInChI=1S/C56H39N5O.C50H38N2O3S/c1-56(2)42-26-13-14-27-44(42)60(51-40-24-11-9-18-36(40)32-34-43(51)56)46-29-17-30-47(61-45-28-15-16-31-48(45)62-49-35-33-37-19-10-12-25-41(37)52(49)61)50(46)55-58-53(38-20-5-3-6-21-38)57-54(59-55)39-22-7-4-8-23-39;1-49(2)37-17-9-10-18-41(37)51(47-35-15-7-5-13-31(35)21-25-38(47)49)33-23-27-45-39(29-33)50(3,4)40-30-34(24-28-46(40)56(45,53)54)52-42-19-11-12-20-43(42)55-44-26-22-32-14-6-8-16-36(32)48(44)52/h3-35H,1-2H3;5-30H,1-4H3
InChIKeyBVEQZUYCDJRGRR-UHFFFAOYSA-N
MW1544.89 g/mol
LogP28.01
Rot. Bonds7

About 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine

2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine (PubChem CID 157472369) has the molecular formula C106H77N7O4S and a molecular weight of 1544.89 g/mol. Its IUPAC name is 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine.

Molecular Properties

Compound Name2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine
PubChem CID157472369
Molecular FormulaC106H77N7O4S
Molecular Weight1544.89 g/mol
Exact Mass1543.58
IUPAC Name2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine
SMILESCC1(C)c2cc(N3c4ccccc4Oc4ccc5ccccc5c43)ccc2S(=O)(=O)c2ccc(N3c4ccccc4C(C)(C)c4ccc5ccccc5c43)cc21.CC1(C)c2ccccc2N(c2cccc(N3c4ccccc4Oc4ccc5ccccc5c43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1ccc1ccccc21
InChIInChI=1S/C56H39N5O.C50H38N2O3S/c1-56(2)42-26-13-14-27-44(42)60(51-40-24-11-9-18-36(40)32-34-43(51)56)46-29-17-30-47(61-45-28-15-16-31-48(45)62-49-35-33-37-19-10-12-25-41(37)52(49)61)50(46)55-58-53(38-20-5-3-6-21-38)57-54(59-55)39-22-7-4-8-23-39;1-49(2)37-17-9-10-18-41(37)51(47-35-15-7-5-13-31(35)21-25-38(47)49)33-23-27-45-39(29-33)50(3,4)40-30-34(24-28-46(40)56(45,53)54)52-42-19-11-12-20-43(42)55-44-26-22-32-14-6-8-16-36(32)48(44)52/h3-35H,1-2H3;5-30H,1-4H3
InChIKeyBVEQZUYCDJRGRR-UHFFFAOYSA-N
XLogP28.01
TPSA104.23 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001544.89
LogP ≤ 528.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine with MolForge

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Related Compounds

2-benzo[a]phenothiazin-12-yl-7-benzo[a]phenoxazin-12-yl-9,9-dimethylthioxanthene 10,10-dioxide
CID 139402541
2-benzo[a]phenothiazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide
CID 139402553
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
18,18-dimethyl-N-(4-phenylphenyl)-N-triphenylen-2-yl-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656690
18,18-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656562
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
10-[6-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylxanthen-3-yl]-9,9-dimethylacridine
CID 134579076
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
14,14-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 170656255
18,18-dimethyl-N-phenanthren-9-yl-N-(4-phenylphenyl)-12-oxa-1-azahexacyclo[11.11.1.02,11.03,8.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19(24),20,22-undecaen-22-amine
CID 170656323
18-[3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)-5-phenylphenyl]phenyl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 67951184

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine?
The IUPAC name of 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine (CID 157472369) is 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine.
What is the SMILES notation for 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine?
The canonical SMILES for 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine is CC1(C)c2cc(N3c4ccccc4Oc4ccc5ccccc5c43)ccc2S(=O)(=O)c2ccc(N3c4ccccc4C(C)(C)c4ccc5ccccc5c43)cc21.CC1(C)c2ccccc2N(c2cccc(N3c4ccccc4Oc4ccc5ccccc5c43)c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2c1ccc1ccccc21.
What is the InChIKey of 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine?
The InChIKey is BVEQZUYCDJRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N5O.C50H38N2O3S/c1-56(2)42-26-13-14-27-44(42)60(51-40-24-11-9-18-36(40)32-34-43(51)56)46-29-17-30-47(61-45-28-15-16-31-48(45)62-49-35-33-37-19-10-12-25-41(37)52(49)61)50(46)55-58-53(38-20-5-3-6-21-38)57-54(59-55)39-22-7-4-8-23-39;1-49(2)37-17-9-10-18-41(37)51(47-35-15-7-5-13-31(35)21-25-38(47)49)33-23-27-45-39(29-33)50(3,4)40-30-34(24-28-46(40)56(45,53)54)52-42-19-11-12-20-43(42)55-44-26-22-32-14-6-8-16-36(32)48(44)52/h3-35H,1-2H3;5-30H,1-4H3.
What are the key properties of 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine?
2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine has a molecular weight of 1544.89 g/mol, XLogP of 28.01, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]phenoxazin-12-yl-7-(7,7-dimethylbenzo[c]acridin-12-yl)-9,9-dimethylthioxanthene 10,10-dioxide;12-[3-(7,7-dimethylbenzo[c]acridin-12-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]phenoxazine is sourced from PubChem (CID 157472369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).