14,22-dinaphthalen-2-yl-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

C38H23BiN2O — CID 140848859

IUPAC14,22-dinaphthalen-2-yl-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
SMILESc1cc2c3c(c1)N(c1ccc4ccccc4c1)c1cccc4c1[Bi]3c1c(cccc1N4c1ccc3ccccc3c1)O2
InChIInChI=1S/C38H23N2O.Bi/c1-3-10-29-22-35(20-18-27(29)8-1)39-31-12-5-13-32(24-31)40(36-21-19-28-9-2-4-11-30(28)23-36)34-15-7-17-38(26-34)41-37-16-6-14-33(39)25-37;/h1-23H;
InChIKeyHPLGMYHPIIFRLT-UHFFFAOYSA-N
MW732.60 g/mol
LogP8.18
Rot. Bonds2

About 14,22-dinaphthalen-2-yl-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

14,22-dinaphthalen-2-yl-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 (PubChem CID 140848859) has the molecular formula C38H23BiN2O and a molecular weight of 732.60 g/mol. Its IUPAC name is 14,22-dinaphthalen-2-yl-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.

Molecular Properties

Compound Name14,22-dinaphthalen-2-yl-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
PubChem CID140848859
Molecular FormulaC38H23BiN2O
Molecular Weight732.60 g/mol
Exact Mass732.16
IUPAC Name14,22-dinaphthalen-2-yl-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
SMILESc1cc2c3c(c1)N(c1ccc4ccccc4c1)c1cccc4c1[Bi]3c1c(cccc1N4c1ccc3ccccc3c1)O2
InChIInChI=1S/C38H23N2O.Bi/c1-3-10-29-22-35(20-18-27(29)8-1)39-31-12-5-13-32(24-31)40(36-21-19-28-9-2-4-11-30(28)23-36)34-15-7-17-38(26-34)41-37-16-6-14-33(39)25-37;/h1-23H;
InChIKeyHPLGMYHPIIFRLT-UHFFFAOYSA-N
XLogP8.18
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.60
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14,22-dinaphthalen-2-yl-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 with MolForge

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Related Compounds

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
4,5,6,7-tetrachloro-14',22'-dinaphthalen-2-ylspiro[1,3,2λ5-benzodioxabismole-2,1'-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 140849431
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
10-naphthalen-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxazine
CID 142744128
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
10-naphthalen-2-ylphenothiazine 5,5-dioxide
CID 141391078
10-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b][1,4]benzazaborinine
CID 58511404
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701

Frequently Asked Questions

What is the IUPAC name of 14,22-dinaphthalen-2-yl-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?
The IUPAC name of 14,22-dinaphthalen-2-yl-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 140848859) is 14,22-dinaphthalen-2-yl-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.
What is the SMILES notation for 14,22-dinaphthalen-2-yl-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?
The canonical SMILES for 14,22-dinaphthalen-2-yl-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 is c1cc2c3c(c1)N(c1ccc4ccccc4c1)c1cccc4c1[Bi]3c1c(cccc1N4c1ccc3ccccc3c1)O2.
What is the InChIKey of 14,22-dinaphthalen-2-yl-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?
The InChIKey is HPLGMYHPIIFRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N2O.Bi/c1-3-10-29-22-35(20-18-27(29)8-1)39-31-12-5-13-32(24-31)40(36-21-19-28-9-2-4-11-30(28)23-36)34-15-7-17-38(26-34)41-37-16-6-14-33(39)25-37;/h1-23H;.
What are the key properties of 14,22-dinaphthalen-2-yl-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?
14,22-dinaphthalen-2-yl-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 has a molecular weight of 732.60 g/mol, XLogP of 8.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,22-dinaphthalen-2-yl-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 is sourced from PubChem (CID 140848859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).