10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

C62H40N6OS — CID 129148191

IUPAC10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C62H40N6OS/c1-3-19-41(20-4-1)67-51-25-9-7-23-49(51)63-61(67)47-39-43(65-53-27-11-15-31-57(53)69-58-32-16-12-28-54(58)65)35-37-45(47)46-38-36-44(66-55-29-13-17-33-59(55)70-60-34-18-14-30-56(60)66)40-48(46)62-64-50-24-8-10-26-52(50)68(62)42-21-5-2-6-22-42/h1-40H
InChIKeyFLBZJYGJELBYTI-UHFFFAOYSA-N
MW917.11 g/mol
LogP16.88
Rot. Bonds7

About 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine

10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (PubChem CID 129148191) has the molecular formula C62H40N6OS and a molecular weight of 917.11 g/mol. Its IUPAC name is 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
PubChem CID129148191
Molecular FormulaC62H40N6OS
Molecular Weight917.11 g/mol
Exact Mass916.30
IUPAC Name10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C62H40N6OS/c1-3-19-41(20-4-1)67-51-25-9-7-23-49(51)63-61(67)47-39-43(65-53-27-11-15-31-57(53)69-58-32-16-12-28-54(58)65)35-37-45(47)46-38-36-44(66-55-29-13-17-33-59(55)70-60-34-18-14-30-56(60)66)40-48(46)62-64-50-24-8-10-26-52(50)68(62)42-21-5-2-6-22-42/h1-40H
InChIKeyFLBZJYGJELBYTI-UHFFFAOYSA-N
XLogP16.88
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.11
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one
CID 158739311
3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248025
10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine
CID 152623651
10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148203
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
2-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-1-phenylbenzimidazole
CID 118145553
10-[3-(2,6-dipyridin-2-ylpyrimidin-4-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenothiazin-10-ylphenyl]phenyl]phenothiazine;10-[3-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-[2-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-4-phenoxazin-10-ylphenyl]phenyl]phenoxazine;5-phenyl-10-[4-[4-(10-phenylphenazin-5-yl)-2-(1,3,5-triazin-2-yl)phenyl]-3-(1,3,5-triazin-2-yl)phenyl]phenazine
CID 161445516
10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129148213
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
CID 165064841

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine (CID 129148191) is 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(N4c5ccccc5Oc5ccccc54)ccc3-c3ccc(N4c5ccccc5Sc5ccccc54)cc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
The InChIKey is FLBZJYGJELBYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N6OS/c1-3-19-41(20-4-1)67-51-25-9-7-23-49(51)63-61(67)47-39-43(65-53-27-11-15-31-57(53)69-58-32-16-12-28-54(58)65)35-37-45(47)46-38-36-44(66-55-29-13-17-33-59(55)70-60-34-18-14-30-56(60)66)40-48(46)62-64-50-24-8-10-26-52(50)68(62)42-21-5-2-6-22-42/h1-40H.
What are the key properties of 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine?
10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine has a molecular weight of 917.11 g/mol, XLogP of 16.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).