ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone

C63H56N2O2 — CID 142381929

IUPACethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
SMILESC=Cc1ccccc1N(c1ccc(-c2cc(C(=O)C3=CC=C(C)CC3)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2Cc2ccc(C)cc2)cc1)c1ccccc1C.CC
InChIInChI=1S/C61H50N2O2.C2H6/c1-5-45-15-7-9-17-56(45)62(55-16-8-6-14-43(55)4)50-34-30-46(31-35-50)52-40-54(61(64)48-28-24-42(3)25-29-48)53(39-49(52)38-44-26-22-41(2)23-27-44)47-32-36-51(37-33-47)63-57-18-10-12-20-59(57)65-60-21-13-11-19-58(60)63;1-2/h5-24,26-28,30-37,39-40H,1,25,29,38H2,2-4H3;1-2H3
InChIKeyLOGGGCRGUHVHFD-UHFFFAOYSA-N
MW873.15 g/mol
LogP17.79
Rot. Bonds11

About ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone

ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone (PubChem CID 142381929) has the molecular formula C63H56N2O2 and a molecular weight of 873.15 g/mol. Its IUPAC name is ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone.

Molecular Properties

Compound Nameethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
PubChem CID142381929
Molecular FormulaC63H56N2O2
Molecular Weight873.15 g/mol
Exact Mass872.43
IUPAC Nameethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
SMILESC=Cc1ccccc1N(c1ccc(-c2cc(C(=O)C3=CC=C(C)CC3)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2Cc2ccc(C)cc2)cc1)c1ccccc1C.CC
InChIInChI=1S/C61H50N2O2.C2H6/c1-5-45-15-7-9-17-56(45)62(55-16-8-6-14-43(55)4)50-34-30-46(31-35-50)52-40-54(61(64)48-28-24-42(3)25-29-48)53(39-49(52)38-44-26-22-41(2)23-27-44)47-32-36-51(37-33-47)63-57-18-10-12-20-59(57)65-60-21-13-11-19-58(60)63;1-2/h5-24,26-28,30-37,39-40H,1,25,29,38H2,2-4H3;1-2H3
InChIKeyLOGGGCRGUHVHFD-UHFFFAOYSA-N
XLogP17.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.15
LogP ≤ 517.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone with MolForge

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Related Compounds

[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
CID 157350494
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
[2,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-4-methylphenyl]-(4-methylphenyl)methanone
CID 145320537
N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 130250366
10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
CID 58251164
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
diethyl 2-[4-(N-[4-(2,5-diformyl-4-naphthalen-2-ylphenyl)phenyl]-4-methylanilino)phenyl]-5-naphthalen-2-ylbenzene-1,4-dicarboxylate
CID 147555954
10-(4-methylcyclohexa-1,3-dien-1-yl)phenoxazine
CID 142093024
N-(4-benzylphenyl)-4-[4-(4-benzyl-N-(2-phenylphenyl)anilino)-3-methylphenyl]-2-methyl-N-(2-phenylphenyl)aniline
CID 121322800
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205

Frequently Asked Questions

What is the IUPAC name of ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The IUPAC name of ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone (CID 142381929) is ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone.
What is the SMILES notation for ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The canonical SMILES for ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone is C=Cc1ccccc1N(c1ccc(-c2cc(C(=O)C3=CC=C(C)CC3)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc2Cc2ccc(C)cc2)cc1)c1ccccc1C.CC.
What is the InChIKey of ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The InChIKey is LOGGGCRGUHVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H50N2O2.C2H6/c1-5-45-15-7-9-17-56(45)62(55-16-8-6-14-43(55)4)50-34-30-46(31-35-50)52-40-54(61(64)48-28-24-42(3)25-29-48)53(39-49(52)38-44-26-22-41(2)23-27-44)47-32-36-51(37-33-47)63-57-18-10-12-20-59(57)65-60-21-13-11-19-58(60)63;1-2/h5-24,26-28,30-37,39-40H,1,25,29,38H2,2-4H3;1-2H3.
What are the key properties of ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone has a molecular weight of 873.15 g/mol, XLogP of 17.79, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[5-[4-(N-(2-ethenylphenyl)-2-methylanilino)phenyl]-4-[(4-methylphenyl)methyl]-2-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone is sourced from PubChem (CID 142381929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).