4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine

C27H31NO2S — CID 170344894

IUPAC4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine
SMILESCCC1(CC)c2ccccc2-c2c1cc(OC)c1cc(SC)c(N3CCOCC3)cc21
InChIInChI=1S/C27H31NO2S/c1-5-27(6-2)21-10-8-7-9-18(21)26-20-15-23(28-11-13-30-14-12-28)25(31-4)16-19(20)24(29-3)17-22(26)27/h7-10,15-17H,5-6,11-14H2,1-4H3
InChIKeySVGABTJWUNUIEP-UHFFFAOYSA-N
MW433.62 g/mol
LogP6.49
Rot. Bonds5

About 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine

4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine (PubChem CID 170344894) has the molecular formula C27H31NO2S and a molecular weight of 433.62 g/mol. Its IUPAC name is 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine.

Molecular Properties

Compound Name4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine
PubChem CID170344894
Molecular FormulaC27H31NO2S
Molecular Weight433.62 g/mol
Exact Mass433.21
IUPAC Name4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine
SMILESCCC1(CC)c2ccccc2-c2c1cc(OC)c1cc(SC)c(N3CCOCC3)cc21
InChIInChI=1S/C27H31NO2S/c1-5-27(6-2)21-10-8-7-9-18(21)26-20-15-23(28-11-13-30-14-12-28)25(31-4)16-19(20)24(29-3)17-22(26)27/h7-10,15-17H,5-6,11-14H2,1-4H3
InChIKeySVGABTJWUNUIEP-UHFFFAOYSA-N
XLogP6.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[21-butyl-5,5-bis(4-methoxyphenyl)-10-methylsulfanyl-21-propyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 168851554
7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol
CID 68841390
7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
CID 170317987
4-[5-cyclohexa-1,5-dien-1-yl-21,21-diethyl-10-methoxy-5-(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 170318474
4-[21,21-diethyl-10-methoxy-11-morpholin-4-yl-5-(4-morpholin-4-ylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]-N,N-dipropylaniline
CID 170318496
4-[4-[21,21-diethyl-10,11-dimethoxy-5-(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]phenyl]morpholine
CID 168851743
2-(2-methylphenyl)sulfanyl-3-morpholin-4-yl-1',1'-dipropylspiro[benzo[c]fluorene-7,4'-cyclohexane]-5-ol
CID 90337913
4-[4-[5-(4-dibenzofuran-4-ylphenyl)-21,21-diethyl-10-methoxy-11-morpholin-4-yl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]phenyl]morpholine
CID 168851460
21-ethyl-10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-ol
CID 68870387
4-[21-ethyl-5-(4-fluorophenyl)-10,21-dimethoxy-5-(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 68872302
4-[6-[(Z)-3-dibenzofuran-2-yl-3-(4-methoxyphenyl)but-1-enyl]-7,7-diethyl-3-methoxy-5-methylbenzo[c]fluoren-2-yl]morpholine
CID 170318617
4-[10-methoxy-5,5-bis(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 66935735

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine?
The IUPAC name of 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine (CID 170344894) is 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine.
What is the SMILES notation for 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine?
The canonical SMILES for 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine is CCC1(CC)c2ccccc2-c2c1cc(OC)c1cc(SC)c(N3CCOCC3)cc21.
What is the InChIKey of 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine?
The InChIKey is SVGABTJWUNUIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2S/c1-5-27(6-2)21-10-8-7-9-18(21)26-20-15-23(28-11-13-30-14-12-28)25(31-4)16-19(20)24(29-3)17-22(26)27/h7-10,15-17H,5-6,11-14H2,1-4H3.
What are the key properties of 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine?
4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine has a molecular weight of 433.62 g/mol, XLogP of 6.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine is sourced from PubChem (CID 170344894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).