9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene

C33H24N2O2 — CID 46217513

IUPAC9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc(COc2cc(OCc3ccccc3)cc(-c3nc4cccc5c6ccccc6c3n45)c2)cc1
InChIInChI=1S/C33H24N2O2/c1-3-10-23(11-4-1)21-36-26-18-25(19-27(20-26)37-22-24-12-5-2-6-13-24)32-33-29-15-8-7-14-28(29)30-16-9-17-31(34-32)35(30)33/h1-20H,21-22H2
InChIKeyYQOMCHFRPVHMMZ-UHFFFAOYSA-N
MW480.57 g/mol
LogP7.90
Rot. Bonds7

About 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene

9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 46217513) has the molecular formula C33H24N2O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

Compound Name9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene
PubChem CID46217513
Molecular FormulaC33H24N2O2
Molecular Weight480.57 g/mol
Exact Mass480.18
IUPAC Name9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene
SMILESc1ccc(COc2cc(OCc3ccccc3)cc(-c3nc4cccc5c6ccccc6c3n45)c2)cc1
InChIInChI=1S/C33H24N2O2/c1-3-10-23(11-4-1)21-36-26-18-25(19-27(20-26)37-22-24-12-5-2-6-13-24)32-33-29-15-8-7-14-28(29)30-16-9-17-31(34-32)35(30)33/h1-20H,21-22H2
InChIKeyYQOMCHFRPVHMMZ-UHFFFAOYSA-N
XLogP7.90
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene with MolForge

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Related Compounds

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396449
5-imidazo[1,2-a]pyridin-2-yl-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396804
7-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)triphenylene-2-carbonitrile
CID 139396420
4-[3,5-bis(phenylmethoxy)phenyl]-1,3-thiazol-2-amine
CID 4585301
9-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)-24-thia-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 139396596
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
3-phenyl-5-[(6-phenyl-2-pyridinyl)oxy]-1,4-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 168734010
5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
CID 102217512
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
5-chloro-6-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 166595361

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The IUPAC name of 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 46217513) is 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene.
What is the SMILES notation for 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The canonical SMILES for 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene is c1ccc(COc2cc(OCc3ccccc3)cc(-c3nc4cccc5c6ccccc6c3n45)c2)cc1.
What is the InChIKey of 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
The InChIKey is YQOMCHFRPVHMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O2/c1-3-10-23(11-4-1)21-36-26-18-25(19-27(20-26)37-22-24-12-5-2-6-13-24)32-33-29-15-8-7-14-28(29)30-16-9-17-31(34-32)35(30)33/h1-20H,21-22H2.
What are the key properties of 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene?
9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 480.57 g/mol, XLogP of 7.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(phenylmethoxy)phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 46217513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).