10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine

C51H33N5OS — CID 126731318

IUPAC10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc32)cc1
InChIInChI=1S/C51H33N5OS/c1-2-14-37(15-3-1)56-46-31-41-49(58-51(53-41)34-24-28-39(29-25-34)55-44-18-8-10-20-47(44)57-48-21-11-9-19-45(48)55)32-40(46)52-50(56)33-22-26-38(27-23-33)54-42-16-6-4-12-35(42)30-36-13-5-7-17-43(36)54/h1-29,31-32H,30H2
InChIKeyPFAWYMKUEPOEHD-UHFFFAOYSA-N
MW763.93 g/mol
LogP13.92
Rot. Bonds5

About 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine

10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine (PubChem CID 126731318) has the molecular formula C51H33N5OS and a molecular weight of 763.93 g/mol. Its IUPAC name is 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine
PubChem CID126731318
Molecular FormulaC51H33N5OS
Molecular Weight763.93 g/mol
Exact Mass763.24
IUPAC Name10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc32)cc1
InChIInChI=1S/C51H33N5OS/c1-2-14-37(15-3-1)56-46-31-41-49(58-51(53-41)34-24-28-39(29-25-34)55-44-18-8-10-20-47(44)57-48-21-11-9-19-45(48)55)32-40(46)52-50(56)33-22-26-38(27-23-33)54-42-16-6-4-12-35(42)30-36-13-5-7-17-43(36)54/h1-29,31-32H,30H2
InChIKeyPFAWYMKUEPOEHD-UHFFFAOYSA-N
XLogP13.92
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.93
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine (CID 126731318) is 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine is c1ccc(-n2c(-c3ccc(N4c5ccccc5Cc5ccccc54)cc3)nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc32)cc1.
What is the InChIKey of 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine?
The InChIKey is PFAWYMKUEPOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5OS/c1-2-14-37(15-3-1)56-46-31-41-49(58-51(53-41)34-24-28-39(29-25-34)55-44-18-8-10-20-47(44)57-48-21-11-9-19-45(48)55)32-40(46)52-50(56)33-22-26-38(27-23-33)54-42-16-6-4-12-35(42)30-36-13-5-7-17-43(36)54/h1-29,31-32H,30H2.
What are the key properties of 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine?
10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine has a molecular weight of 763.93 g/mol, XLogP of 13.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[6-[4-(9H-acridin-10-yl)phenyl]-5-phenylimidazo[4,5-f][1,3]benzothiazol-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 126731318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).