10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine

C72H45N7O4 — CID 152623651

IUPAC10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccccc3-c3c(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)nc(N4c5ccccc5Oc5ccccc54)c3N3c4ccccc4Oc4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C72H45N7O4/c1-2-24-46(25-3-1)75-50-29-7-6-28-49(50)73-70(75)48-27-5-4-26-47(48)67-68(76-51-30-8-16-38-59(51)80-60-39-17-9-31-52(60)76)71(78-55-34-12-20-42-63(55)82-64-43-21-13-35-56(64)78)74-72(79-57-36-14-22-44-65(57)83-66-45-23-15-37-58(66)79)69(67)77-53-32-10-18-40-61(53)81-62-41-19-11-33-54(62)77/h1-45H
InChIKeyZCAWGJPMMCLMRQ-UHFFFAOYSA-N
MW1072.20 g/mol
LogP20.06
Rot. Bonds7

About 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine

10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine (PubChem CID 152623651) has the molecular formula C72H45N7O4 and a molecular weight of 1072.20 g/mol. Its IUPAC name is 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine
PubChem CID152623651
Molecular FormulaC72H45N7O4
Molecular Weight1072.20 g/mol
Exact Mass1071.35
IUPAC Name10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccccc3-c3c(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)nc(N4c5ccccc5Oc5ccccc54)c3N3c4ccccc4Oc4ccccc43)nc3ccccc32)cc1
InChIInChI=1S/C72H45N7O4/c1-2-24-46(25-3-1)75-50-29-7-6-28-49(50)73-70(75)48-27-5-4-26-47(48)67-68(76-51-30-8-16-38-59(51)80-60-39-17-9-31-52(60)76)71(78-55-34-12-20-42-63(55)82-64-43-21-13-35-56(64)78)74-72(79-57-36-14-22-44-65(57)83-66-45-23-15-37-58(66)79)69(67)77-53-32-10-18-40-61(53)81-62-41-19-11-33-54(62)77/h1-45H
InChIKeyZCAWGJPMMCLMRQ-UHFFFAOYSA-N
XLogP20.06
TPSA80.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.20
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine with MolForge

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Related Compounds

10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148191
1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148203
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
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
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640
1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
CID 122363283
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]aniline
CID 155157165

Frequently Asked Questions

What is the IUPAC name of 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine?
The IUPAC name of 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine (CID 152623651) is 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine?
The canonical SMILES for 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine is c1ccc(-n2c(-c3ccccc3-c3c(N4c5ccccc5Oc5ccccc54)c(N4c5ccccc5Oc5ccccc54)nc(N4c5ccccc5Oc5ccccc54)c3N3c4ccccc4Oc4ccccc43)nc3ccccc32)cc1.
What is the InChIKey of 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine?
The InChIKey is ZCAWGJPMMCLMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45N7O4/c1-2-24-46(25-3-1)75-50-29-7-6-28-49(50)73-70(75)48-27-5-4-26-47(48)67-68(76-51-30-8-16-38-59(51)80-60-39-17-9-31-52(60)76)71(78-55-34-12-20-42-63(55)82-64-43-21-13-35-56(64)78)74-72(79-57-36-14-22-44-65(57)83-66-45-23-15-37-58(66)79)69(67)77-53-32-10-18-40-61(53)81-62-41-19-11-33-54(62)77/h1-45H.
What are the key properties of 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine?
10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine has a molecular weight of 1072.20 g/mol, XLogP of 20.06, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,5,6-tri(phenoxazin-10-yl)-4-[2-(1-phenylbenzimidazol-2-yl)phenyl]-3-pyridinyl]phenoxazine is sourced from PubChem (CID 152623651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).