17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one

C43H27NO3 — CID 164758765

IUPAC17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
SMILESO=c1c2cc(-c3ccccc3)c(-c3ccccc3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12
InChIInChI=1S/C43H27NO3/c45-43-37-24-34(28-13-5-1-6-14-28)35(29-15-7-2-8-16-29)26-40(37)47-42-27-41-36(25-38(42)43)33-22-21-32(23-39(33)46-41)44(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-27H
InChIKeyZVAJMNXELSSJEU-UHFFFAOYSA-N
MW605.69 g/mol
LogP11.65
Rot. Bonds5

About 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one

17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one (PubChem CID 164758765) has the molecular formula C43H27NO3 and a molecular weight of 605.69 g/mol. Its IUPAC name is 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one.

Molecular Properties

Compound Name17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
PubChem CID164758765
Molecular FormulaC43H27NO3
Molecular Weight605.69 g/mol
Exact Mass605.20
IUPAC Name17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one
SMILESO=c1c2cc(-c3ccccc3)c(-c3ccccc3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12
InChIInChI=1S/C43H27NO3/c45-43-37-24-34(28-13-5-1-6-14-28)35(29-15-7-2-8-16-29)26-40(37)47-42-27-41-36(25-38(42)43)33-22-21-32(23-39(33)46-41)44(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-27H
InChIKeyZVAJMNXELSSJEU-UHFFFAOYSA-N
XLogP11.65
TPSA46.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.69
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one with MolForge

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Related Compounds

3-(N-phenylanilino)chromeno[3,2-b]xanthene-12,14-dione
CID 164765343
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
7,17-bis(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one;17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one;21-oxo-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene-17-carbonitrile;7-(N-phenylanilino)-17-piperidin-1-yl-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-21-one
CID 165029025
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
CID 171050143
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N,16-diphenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050331
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(2,6-diphenylphenyl)-N-phenyldibenzofuran-3-amine
CID 121287858
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001

Frequently Asked Questions

What is the IUPAC name of 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
The IUPAC name of 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one (CID 164758765) is 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one.
What is the SMILES notation for 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
The canonical SMILES for 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one is O=c1c2cc(-c3ccccc3)c(-c3ccccc3)cc2oc2cc3oc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc12.
What is the InChIKey of 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
The InChIKey is ZVAJMNXELSSJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO3/c45-43-37-24-34(28-13-5-1-6-14-28)35(29-15-7-2-8-16-29)26-40(37)47-42-27-41-36(25-38(42)43)33-22-21-32(23-39(33)46-41)44(30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-27H.
What are the key properties of 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one?
17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one has a molecular weight of 605.69 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17,18-diphenyl-7-(N-phenylanilino)-10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-21-one is sourced from PubChem (CID 164758765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).