4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol

C61H65NO4 — CID 58274115

IUPAC4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
SMILESCCCCCCCCOc1ccc(N2c3ccc(C)cc3Oc3cc(-c4ccc5c(c4)C(c4ccc(O)cc4)(c4ccc(OCCCCCCCC)cc4)c4cc(C)ccc4-5)ccc32)cc1
InChIInChI=1S/C61H65NO4/c1-5-7-9-11-13-15-37-64-51-29-23-48(24-30-51)61(47-21-27-50(63)28-22-47)55-39-43(3)17-33-53(55)54-34-19-45(41-56(54)61)46-20-36-58-60(42-46)66-59-40-44(4)18-35-57(59)62(58)49-25-31-52(32-26-49)65-38-16-14-12-10-8-6-2/h17-36,39-42,63H,5-16,37-38H2,1-4H3
InChIKeyIJUHJQMJDVGYES-UHFFFAOYSA-N
MW876.19 g/mol
LogP17.09
Rot. Bonds20

About 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol

4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol (PubChem CID 58274115) has the molecular formula C61H65NO4 and a molecular weight of 876.19 g/mol. Its IUPAC name is 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
PubChem CID58274115
Molecular FormulaC61H65NO4
Molecular Weight876.19 g/mol
Exact Mass875.49
IUPAC Name4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol
SMILESCCCCCCCCOc1ccc(N2c3ccc(C)cc3Oc3cc(-c4ccc5c(c4)C(c4ccc(O)cc4)(c4ccc(OCCCCCCCC)cc4)c4cc(C)ccc4-5)ccc32)cc1
InChIInChI=1S/C61H65NO4/c1-5-7-9-11-13-15-37-64-51-29-23-48(24-30-51)61(47-21-27-50(63)28-22-47)55-39-43(3)17-33-53(55)54-34-19-45(41-56(54)61)46-20-36-58-60(42-46)66-59-40-44(4)18-35-57(59)62(58)49-25-31-52(32-26-49)65-38-16-14-12-10-8-6-2/h17-36,39-42,63H,5-16,37-38H2,1-4H3
InChIKeyIJUHJQMJDVGYES-UHFFFAOYSA-N
XLogP17.09
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.19
LogP ≤ 517.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-10-(4-octoxyphenyl)-7-(2,3,7'-trimethyl-6,7-dioctoxy-9,9'-spirobi[fluorene]-2'-yl)phenoxazine
CID 58274125
9-[3-[10-[4-(4-heptylphenyl)phenyl]-7-methylphenoxazin-3-yl]-7-[7-(7'-methyl-2,3,6,7-tetraoctoxy-9,9'-spirobi[fluorene]-2'-yl)-9,9-bis(4-octoxyphenyl)fluoren-2-yl]phenoxazin-10-yl]nonane-2,4-diol
CID 59348594
3-(4-tert-butylphenyl)-10-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-7-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenoxazine
CID 58556195
3,7-bis[9,9-bis(4-methylphenyl)fluoren-2-yl]-10-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]phenoxazine;4-[9,9-bis(4-methylphenyl)fluoren-2-yl]-N-[4-[9,9-bis(4-methylphenyl)fluoren-2-yl]phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]aniline;2,7-dimethyl-9,9-dioctylfluorene
CID 160646857
4-[9-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]-2-[2-[7-[2-[10-(4-butylphenyl)-7-methylphenoxazin-3-yl]ethyl]-9-methyl-9-octa-1,3,5,7-tetraynylfluoren-2-yl]ethyl]-7-methylfluoren-9-yl]phenol
CID 59364915
[4-[2-[4-[2-[2-[7-[2-[10-(4-butylphenyl)-7-methylphenoxazin-3-yl]ethyl]-9-methyl-9-octa-1,3,5,7-tetraynylfluoren-2-yl]ethyl]-9-(4-hexoxyphenyl)-7-methylfluoren-9-yl]phenoxy]ethoxy]phenyl]methanamine
CID 59364914
9,9-bis(4-hexoxyphenyl)-2,7-dimethylfluorene;1,4-dihexyl-2,5-dimethylbenzene
CID 161408851
2,7-bis[4-(3,7-dihexoxyphenoxazin-10-yl)phenyl]fluoren-9-one
CID 171056051
9-(4-hexoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene;[4-[9-(4-methoxyphenyl)-2,7-dimethylfluoren-9-yl]phenyl]methanol
CID 123691695
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]-2,7-dimethylfluoren-9-yl]phenoxy]ethanol
CID 171457364
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-2,5-dioctylphenyl)fluorene
CID 59821626

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol?
The IUPAC name of 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol (CID 58274115) is 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol.
What is the SMILES notation for 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol?
The canonical SMILES for 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol is CCCCCCCCOc1ccc(N2c3ccc(C)cc3Oc3cc(-c4ccc5c(c4)C(c4ccc(O)cc4)(c4ccc(OCCCCCCCC)cc4)c4cc(C)ccc4-5)ccc32)cc1.
What is the InChIKey of 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol?
The InChIKey is IJUHJQMJDVGYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H65NO4/c1-5-7-9-11-13-15-37-64-51-29-23-48(24-30-51)61(47-21-27-50(63)28-22-47)55-39-43(3)17-33-53(55)54-34-19-45(41-56(54)61)46-20-36-58-60(42-46)66-59-40-44(4)18-35-57(59)62(58)49-25-31-52(32-26-49)65-38-16-14-12-10-8-6-2/h17-36,39-42,63H,5-16,37-38H2,1-4H3.
What are the key properties of 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol?
4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol has a molecular weight of 876.19 g/mol, XLogP of 17.09, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-7-[7-methyl-10-(4-octoxyphenyl)phenoxazin-3-yl]-9-(4-octoxyphenyl)fluoren-9-yl]phenol is sourced from PubChem (CID 58274115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).