10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine

C44H38N2O — CID 89071063

IUPAC10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine
SMILESCC1(C)c2cc(/C=C/C3=CC=C(N4c5ccccc5Oc5ccccc54)CC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C44H38N2O/c1-44(2)37-28-31(21-25-35(37)36-26-24-34(29-38(36)44)45-27-9-11-32-10-3-4-12-39(32)45)18-17-30-19-22-33(23-20-30)46-40-13-5-7-15-42(40)47-43-16-8-6-14-41(43)46/h3-8,10,12-19,21-22,24-26,28-29H,9,11,20,23,27H2,1-2H3/b18-17+
InChIKeyIDZXASVFJVNPBU-ISLYRVAYSA-N
MW610.80 g/mol
LogP11.64
Rot. Bonds4

About 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine

10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine (PubChem CID 89071063) has the molecular formula C44H38N2O and a molecular weight of 610.80 g/mol. Its IUPAC name is 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine
PubChem CID89071063
Molecular FormulaC44H38N2O
Molecular Weight610.80 g/mol
Exact Mass610.30
IUPAC Name10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine
SMILESCC1(C)c2cc(/C=C/C3=CC=C(N4c5ccccc5Oc5ccccc54)CC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C44H38N2O/c1-44(2)37-28-31(21-25-35(37)36-26-24-34(29-38(36)44)45-27-9-11-32-10-3-4-12-39(32)45)18-17-30-19-22-33(23-20-30)46-40-13-5-7-15-42(40)47-43-16-8-6-14-41(43)46/h3-8,10,12-19,21-22,24-26,28-29H,9,11,20,23,27H2,1-2H3/b18-17+
InChIKeyIDZXASVFJVNPBU-ISLYRVAYSA-N
XLogP11.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine?
The IUPAC name of 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine (CID 89071063) is 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine.
What is the SMILES notation for 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine?
The canonical SMILES for 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine is CC1(C)c2cc(/C=C/C3=CC=C(N4c5ccccc5Oc5ccccc54)CC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21.
What is the InChIKey of 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine?
The InChIKey is IDZXASVFJVNPBU-ISLYRVAYSA-N. The full InChI is InChI=1S/C44H38N2O/c1-44(2)37-28-31(21-25-35(37)36-26-24-34(29-38(36)44)45-27-9-11-32-10-3-4-12-39(32)45)18-17-30-19-22-33(23-20-30)46-40-13-5-7-15-42(40)47-43-16-8-6-14-41(43)46/h3-8,10,12-19,21-22,24-26,28-29H,9,11,20,23,27H2,1-2H3/b18-17+.
What are the key properties of 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine?
10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine has a molecular weight of 610.80 g/mol, XLogP of 11.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]cyclohexa-1,3-dien-1-yl]phenoxazine is sourced from PubChem (CID 89071063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).