10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine

C46H35N3O2 — CID 89070799

IUPAC10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
SMILESCC1(C)c2cc(/C=C/c3ccc(N4C5=C(C=CCC5)Oc5ccccc54)cn3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C46H35N3O2/c1-46(2)36-27-30(19-21-31-22-23-33(29-47-31)49-40-13-5-9-17-44(40)51-45-18-10-6-14-41(45)49)20-25-34(36)35-26-24-32(28-37(35)46)48-38-11-3-7-15-42(38)50-43-16-8-4-12-39(43)48/h3-5,7-13,15-29H,6,14H2,1-2H3/b21-19+
InChIKeyPWNCPBAYNBPHLZ-XUTLUUPISA-N
MW661.81 g/mol
LogP12.23
Rot. Bonds4

About 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine

10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine (PubChem CID 89070799) has the molecular formula C46H35N3O2 and a molecular weight of 661.81 g/mol. Its IUPAC name is 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
PubChem CID89070799
Molecular FormulaC46H35N3O2
Molecular Weight661.81 g/mol
Exact Mass661.27
IUPAC Name10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine
SMILESCC1(C)c2cc(/C=C/c3ccc(N4C5=C(C=CCC5)Oc5ccccc54)cn3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21
InChIInChI=1S/C46H35N3O2/c1-46(2)36-27-30(19-21-31-22-23-33(29-47-31)49-40-13-5-9-17-44(40)51-45-18-10-6-14-41(45)49)20-25-34(36)35-26-24-32(28-37(35)46)48-38-11-3-7-15-42(38)50-43-16-8-4-12-39(43)48/h3-5,7-13,15-29H,6,14H2,1-2H3/b21-19+
InChIKeyPWNCPBAYNBPHLZ-XUTLUUPISA-N
XLogP12.23
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
10-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
10-[7-[2-[4-(9,9-dimethylacridin-10-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,2-dihydrophenothiazine
CID 90875628
5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984195
10-[6-(1,2-dihydrophenoxazin-10-yl)-9-(9,9-dimethylfluoren-2-yl)-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]phenoxazine
CID 89111126
10-[4-[4-[(E)-2-[7-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]naphthalen-1-yl]-9,9-dimethylacridine
CID 89070905
10-[9,9-dimethyl-7-[(E)-2-(12-phenoxazin-10-ylchrysen-6-yl)ethenyl]fluoren-2-yl]phenoxazine
CID 89071771
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
10-[7-[(E)-2-[7-(1,2-dihydrophenoxazin-10-yl)-5,6-dimethyl-9,9-diphenyl-5,6-dihydrofluoren-2-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-3,4-dihydrophenoxazine
CID 89071935
11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070738
11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887

Frequently Asked Questions

What is the IUPAC name of 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine?
The IUPAC name of 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine (CID 89070799) is 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine.
What is the SMILES notation for 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine?
The canonical SMILES for 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine is CC1(C)c2cc(/C=C/c3ccc(N4C5=C(C=CCC5)Oc5ccccc54)cn3)ccc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc21.
What is the InChIKey of 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine?
The InChIKey is PWNCPBAYNBPHLZ-XUTLUUPISA-N. The full InChI is InChI=1S/C46H35N3O2/c1-46(2)36-27-30(19-21-31-22-23-33(29-47-31)49-40-13-5-9-17-44(40)51-45-18-10-6-14-41(45)49)20-25-34(36)35-26-24-32(28-37(35)46)48-38-11-3-7-15-42(38)50-43-16-8-4-12-39(43)48/h3-5,7-13,15-29H,6,14H2,1-2H3/b21-19+.
What are the key properties of 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine?
10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine has a molecular weight of 661.81 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[(E)-2-[5-(1,2-dihydrophenoxazin-10-yl)-2-pyridinyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenoxazine is sourced from PubChem (CID 89070799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).