1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C32H25BiN2O — CID 140848716

IUPAC1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESC[Bi]12(C)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2O.2CH3.Bi/c1-3-10-23(11-4-1)31-25-14-7-15-26(20-25)32(24-12-5-2-6-13-24)28-17-9-19-30(22-28)33-29-18-8-16-27(31)21-29;;;/h1-19H;2*1H3;
InChIKeyQLLQHEMHMHLHCW-UHFFFAOYSA-N
MW662.55 g/mol
LogP7.04
Rot. Bonds2

About 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 140848716) has the molecular formula C32H25BiN2O and a molecular weight of 662.55 g/mol. Its IUPAC name is 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID140848716
Molecular FormulaC32H25BiN2O
Molecular Weight662.55 g/mol
Exact Mass662.18
IUPAC Name1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESC[Bi]12(C)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4
InChIInChI=1S/C30H19N2O.2CH3.Bi/c1-3-10-23(11-4-1)31-25-14-7-15-26(20-25)32(24-12-5-2-6-13-24)28-17-9-19-30(22-28)33-29-18-8-16-27(31)21-29;;;/h1-19H;2*1H3;
InChIKeyQLLQHEMHMHLHCW-UHFFFAOYSA-N
XLogP7.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.55
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

ethane;10-phenylphenoxazine
CID 123756019
22-phenyl-8,14-dioxa-22-aza-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 134317568
1,1-dimethyl-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848985
14,22-diphenyl-8-oxa-14,22-diaza-1-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140849245
22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 118049683
1,1,8,14,22-pentakis-phenyl-8,14,22-triaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848680
1,1-difluoro-22-phenyl-8,14-dioxa-22-aza-1λ5-stibahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140848779
22,30-diphenyl-11,16-dioxa-22,30-diaza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene
CID 166568329
CID 148566155
CID 148566155
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
CID 154595373
CID 154595373

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 140848716) is 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is C[Bi]12(C)c3c4cccc3N(c3ccccc3)c3cccc(c31)N(c1ccccc1)c1cccc(c12)O4.
What is the InChIKey of 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is QLLQHEMHMHLHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N2O.2CH3.Bi/c1-3-10-23(11-4-1)31-25-14-7-15-26(20-25)32(24-12-5-2-6-13-24)28-17-9-19-30(22-28)33-29-18-8-16-27(31)21-29;;;/h1-19H;2*1H3;.
What are the key properties of 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 662.55 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-14,22-diphenyl-8-oxa-14,22-diaza-1λ5-bismahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 140848716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).