4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine

C38H31NO3 — CID 170543909

IUPAC4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine
SMILESCOc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3cc4c5ccccc5c5ccccc5c4cc3O2)cc1
InChIInChI=1S/C38H31NO3/c1-40-30-16-12-28(13-17-30)38(27-10-14-29(15-11-27)39-20-22-41-23-21-39)19-18-26-24-35-33-8-4-2-6-31(33)32-7-3-5-9-34(32)36(35)25-37(26)42-38/h2-19,24-25H,20-23H2,1H3
InChIKeyMDHPPIBXLCAEEN-UHFFFAOYSA-N
MW549.67 g/mol
LogP8.34
Rot. Bonds4

About 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine

4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine (PubChem CID 170543909) has the molecular formula C38H31NO3 and a molecular weight of 549.67 g/mol. Its IUPAC name is 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine
PubChem CID170543909
Molecular FormulaC38H31NO3
Molecular Weight549.67 g/mol
Exact Mass549.23
IUPAC Name4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine
SMILESCOc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3cc4c5ccccc5c5ccccc5c4cc3O2)cc1
InChIInChI=1S/C38H31NO3/c1-40-30-16-12-28(13-17-30)38(27-10-14-29(15-11-27)39-20-22-41-23-21-39)19-18-26-24-35-33-8-4-2-6-31(33)32-7-3-5-9-34(32)36(35)25-37(26)42-38/h2-19,24-25H,20-23H2,1H3
InChIKeyMDHPPIBXLCAEEN-UHFFFAOYSA-N
XLogP8.34
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-[9-methoxy-2-(4-morpholin-4-ylphenyl)benzo[h]chromen-2-yl]phenyl]morpholine
CID 22624741
4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 15868597
4-(2,2-diphenylchromen-6-yl)morpholine
CID 102389036
2,2-bis(4-methoxyphenyl)-9-morpholin-4-ylbenzo[h]chromene-5-carboxylic acid
CID 70233183
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
methyl 8-methoxy-2-(4-methoxyphenyl)-2-(4-morpholin-4-ylphenyl)benzo[h]chromene-5-carboxylate
CID 142000325
4-[4-[24,25-dimethoxy-19-(4-methoxyphenyl)-3',3'-dimethylspiro[20-oxahexacyclo[13.12.0.02,7.08,13.016,21.022,27]heptacosa-1(15),2,4,6,8,10,12,16(21),17,22,24,26-dodecaene-14,1'-cyclobutane]-19-yl]phenyl]morpholine
CID 59480281
4-[3-(4-methylphenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 23514747
4-[4-[10-methoxy-5-(4-methoxyphenyl)spiro[6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15,17,19-nonaene-21,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl]phenyl]morpholine
CID 122381778
4-[4-(21-phenoxy-18-phenyl-19-oxapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(22),2,4,6,8,10,12,14,16,20-decaen-18-yl)phenyl]morpholine
CID 170543925
4-[4-(4,18-dimethoxy-21,21-dimethyl-10-phenyl-9-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaen-10-yl)phenyl]morpholine
CID 12994773
4-[4-[5-(4-methoxyphenyl)-21,21-dimethyl-10-morpholin-4-yl-18-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaen-5-yl]phenyl]morpholine
CID 168851819

Frequently Asked Questions

What is the IUPAC name of 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine (CID 170543909) is 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine is COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3cc4c5ccccc5c5ccccc5c4cc3O2)cc1.
What is the InChIKey of 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine?
The InChIKey is MDHPPIBXLCAEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31NO3/c1-40-30-16-12-28(13-17-30)38(27-10-14-29(15-11-27)39-20-22-41-23-21-39)19-18-26-24-35-33-8-4-2-6-31(33)32-7-3-5-9-34(32)36(35)25-37(26)42-38/h2-19,24-25H,20-23H2,1H3.
What are the key properties of 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine?
4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine has a molecular weight of 549.67 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[11-(4-methoxyphenyl)phenanthro[9,10-g]chromen-11-yl]phenyl]morpholine is sourced from PubChem (CID 170543909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).