10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine

C57H52N2O — CID 91374859

IUPAC10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine
SMILESCCC1(CC)c2cc(C=Cc3ccc4c(c3)C(CC)(CC)c3cc(N5c6ccccc6Oc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C57H52N2O/c1-5-56(6-2)47-34-38(25-29-43(47)45-31-27-41(36-49(45)56)58-33-15-17-40-16-9-10-18-51(40)58)23-24-39-26-30-44-46-32-28-42(37-50(46)57(7-3,8-4)48(44)35-39)59-52-19-11-13-21-54(52)60-55-22-14-12-20-53(55)59/h9-14,16,18-32,34-37H,5-8,15,17,33H2,1-4H3
InChIKeyRVQXTOUCVRKPDN-UHFFFAOYSA-N
MW781.06 g/mol
LogP15.69
Rot. Bonds8

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

10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine (PubChem CID 91374859) has the molecular formula C57H52N2O and a molecular weight of 781.06 g/mol. Its IUPAC name is 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine
PubChem CID91374859
Molecular FormulaC57H52N2O
Molecular Weight781.06 g/mol
Exact Mass780.41
IUPAC Name10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine
SMILESCCC1(CC)c2cc(C=Cc3ccc4c(c3)C(CC)(CC)c3cc(N5c6ccccc6Oc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C57H52N2O/c1-5-56(6-2)47-34-38(25-29-43(47)45-31-27-41(36-49(45)56)58-33-15-17-40-16-9-10-18-51(40)58)23-24-39-26-30-44-46-32-28-42(37-50(46)57(7-3,8-4)48(44)35-39)59-52-19-11-13-21-54(52)60-55-22-14-12-20-53(55)59/h9-14,16,18-32,34-37H,5-8,15,17,33H2,1-4H3
InChIKeyRVQXTOUCVRKPDN-UHFFFAOYSA-N
XLogP15.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.06
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine?
The IUPAC name of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine (CID 91374859) is 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine.
What is the SMILES notation for 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine?
The canonical SMILES for 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine is CCC1(CC)c2cc(C=Cc3ccc4c(c3)C(CC)(CC)c3cc(N5c6ccccc6Oc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCc4ccccc43)cc21.
What is the InChIKey of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine?
The InChIKey is RVQXTOUCVRKPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N2O/c1-5-56(6-2)47-34-38(25-29-43(47)45-31-27-41(36-49(45)56)58-33-15-17-40-16-9-10-18-51(40)58)23-24-39-26-30-44-46-32-28-42(37-50(46)57(7-3,8-4)48(44)35-39)59-52-19-11-13-21-54(52)60-55-22-14-12-20-53(55)59/h9-14,16,18-32,34-37H,5-8,15,17,33H2,1-4H3.
What are the key properties of 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine?
10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine has a molecular weight of 781.06 g/mol, XLogP of 15.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]phenoxazine is sourced from PubChem (CID 91374859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).