10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole

C75H48N6O4S — CID 159198907

IUPAC10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1.c1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1
InChIInChI=1S/C25H16N2O2.C25H16N2OS.C25H16N2O/c1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27;1-6-12-24-19(7-1)26-25(29-24)17-13-15-18(16-14-17)27-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)27;1-4-10-22-19(7-1)20-8-2-5-11-23(20)27(22)18-15-13-17(14-16-18)25-26-21-9-3-6-12-24(21)28-25/h2*1-16H;1-16H
InChIKeyKPAHQUYLDXBTGY-UHFFFAOYSA-N
MW1129.31 g/mol
LogP21.20
Rot. Bonds6

About 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole

10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole (PubChem CID 159198907) has the molecular formula C75H48N6O4S and a molecular weight of 1129.31 g/mol. Its IUPAC name is 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole
PubChem CID159198907
Molecular FormulaC75H48N6O4S
Molecular Weight1129.31 g/mol
Exact Mass1128.35
IUPAC Name10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1.c1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1
InChIInChI=1S/C25H16N2O2.C25H16N2OS.C25H16N2O/c1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27;1-6-12-24-19(7-1)26-25(29-24)17-13-15-18(16-14-17)27-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)27;1-4-10-22-19(7-1)20-8-2-5-11-23(20)27(22)18-15-13-17(14-16-18)25-26-21-9-3-6-12-24(21)28-25/h2*1-16H;1-16H
InChIKeyKPAHQUYLDXBTGY-UHFFFAOYSA-N
XLogP21.20
TPSA94.82 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.31
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole with MolForge

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Related Compounds

2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
2-[4-[3-(1,3-benzothiazol-2-yl)-5-[4-(1,3-benzothiazol-2-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 167017597
10-[4-(1,3-benzoxazol-2-yl)phenyl]acridin-9-one
CID 118335134
7-N,17-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-7-N,17-N-bis(4-carbazol-9-ylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene-7,17-diamine
CID 162483420
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
2-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228018
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
CID 126585578
10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129148131
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole?
The IUPAC name of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole (CID 159198907) is 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole?
The canonical SMILES for 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1.c1ccc2oc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc2c1.
What is the InChIKey of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole?
The InChIKey is KPAHQUYLDXBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O2.C25H16N2OS.C25H16N2O/c1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27;1-6-12-24-19(7-1)26-25(29-24)17-13-15-18(16-14-17)27-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)27;1-4-10-22-19(7-1)20-8-2-5-11-23(20)27(22)18-15-13-17(14-16-18)25-26-21-9-3-6-12-24(21)28-25/h2*1-16H;1-16H.
What are the key properties of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole?
10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole has a molecular weight of 1129.31 g/mol, XLogP of 21.20, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 159198907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).