(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium

C28H23N2O3+ — CID 123234628

IUPAC(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium
SMILESCOc1ccc2c(c1)Cc1cc(N[N+](=O)c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2
InChIInChI=1S/C28H23N2O3/c1-32-23-5-9-27-19(15-23)11-17-13-21(3-7-25(17)27)29-30(31)22-4-8-26-18(14-22)12-20-16-24(33-2)6-10-28(20)26/h3-10,13-16H,11-12H2,1-2H3,(H,29,31)/q+1
InChIKeyNPMYJDRLPOUCBR-UHFFFAOYSA-N
MW435.50 g/mol
LogP6.28
Rot. Bonds5

About (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium

(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium (PubChem CID 123234628) has the molecular formula C28H23N2O3+ and a molecular weight of 435.50 g/mol. Its IUPAC name is (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium.

Molecular Properties

Compound Name(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium
PubChem CID123234628
Molecular FormulaC28H23N2O3+
Molecular Weight435.50 g/mol
Exact Mass435.17
IUPAC Name(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium
SMILESCOc1ccc2c(c1)Cc1cc(N[N+](=O)c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2
InChIInChI=1S/C28H23N2O3/c1-32-23-5-9-27-19(15-23)11-17-13-21(3-7-25(17)27)29-30(31)22-4-8-26-18(14-22)12-20-16-24(33-2)6-10-28(20)26/h3-10,13-16H,11-12H2,1-2H3,(H,29,31)/q+1
InChIKeyNPMYJDRLPOUCBR-UHFFFAOYSA-N
XLogP6.28
TPSA50.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
N-(9H-fluoren-2-yl)-4-methoxybenzenesulfonamide
CID 3775987
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
(7-nitro-9H-fluoren-2-yl) hydrogen sulfate
CID 54049800
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
N-[(3-methoxyphenyl)methyl]-9H-fluoren-2-amine
CID 22663951
methyl (2R)-2-(7-nitro-9H-fluoren-2-yl)propanoate
CID 129387495
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
CID 20616848
dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide
CID 173247087
6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369623

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium?
The IUPAC name of (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium (CID 123234628) is (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium.
What is the SMILES notation for (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium?
The canonical SMILES for (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium is COc1ccc2c(c1)Cc1cc(N[N+](=O)c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2.
What is the InChIKey of (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium?
The InChIKey is NPMYJDRLPOUCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N2O3/c1-32-23-5-9-27-19(15-23)11-17-13-21(3-7-25(17)27)29-30(31)22-4-8-26-18(14-22)12-20-16-24(33-2)6-10-28(20)26/h3-10,13-16H,11-12H2,1-2H3,(H,29,31)/q+1.
What are the key properties of (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium?
(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium has a molecular weight of 435.50 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium is sourced from PubChem (CID 123234628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).