2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid

C26H22N4O2 — CID 139817208

IUPAC2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid
SMILESNc1cccc(C2(c3cccc(N)c3)c3cc(N)ccc3-c3c(C(=O)O)cc(N)cc32)c1
InChIInChI=1S/C26H22N4O2/c27-16-5-1-3-14(9-16)26(15-4-2-6-17(28)10-15)22-12-18(29)7-8-20(22)24-21(25(31)32)11-19(30)13-23(24)26/h1-13H,27-30H2,(H,31,32)
InChIKeyXKGPFOAUYNXAKV-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.08
Rot. Bonds3

About 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid

2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid (PubChem CID 139817208) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid.

Molecular Properties

Compound Name2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid
PubChem CID139817208
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid
SMILESNc1cccc(C2(c3cccc(N)c3)c3cc(N)ccc3-c3c(C(=O)O)cc(N)cc32)c1
InChIInChI=1S/C26H22N4O2/c27-16-5-1-3-14(9-16)26(15-4-2-6-17(28)10-15)22-12-18(29)7-8-20(22)24-21(25(31)32)11-19(30)13-23(24)26/h1-13H,27-30H2,(H,31,32)
InChIKeyXKGPFOAUYNXAKV-UHFFFAOYSA-N
XLogP4.08
TPSA141.38 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
5-amino-2-[2-(4-amino-2-carboxyphenyl)-3-[2,3-bis(4-amino-2-carboxyphenyl)phenoxy]phenyl]benzoic acid
CID 141406920
9-(3-methylphenyl)-9-phenylfluoren-2-amine
CID 142567662
7,7-diphenylbenzo[g]fluoren-9-amine
CID 134361009
9,9-bis(4-amino-3,5-diethylphenyl)fluorene-4-carboxylic acid
CID 139612538
9,9-bis[3-(4-aminophenoxy)phenyl]fluorene-2,7-diamine
CID 18003176
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
5-amino-2-phenyldiazenylbenzoic acid
CID 23165759
7,7-diphenyl-1,2-dihydrobenzo[g]fluoren-9-amine
CID 143561090
benzene-1,3-diamine;furan-2,5-dicarboxylic acid
CID 175422690
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
dipotassium;5-amino-2-hydroxybenzoic acid;hydride
CID 173393378

Frequently Asked Questions

What is the IUPAC name of 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid?
The IUPAC name of 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid (CID 139817208) is 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid.
What is the SMILES notation for 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid?
The canonical SMILES for 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid is Nc1cccc(C2(c3cccc(N)c3)c3cc(N)ccc3-c3c(C(=O)O)cc(N)cc32)c1.
What is the InChIKey of 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid?
The InChIKey is XKGPFOAUYNXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c27-16-5-1-3-14(9-16)26(15-4-2-6-17(28)10-15)22-12-18(29)7-8-20(22)24-21(25(31)32)11-19(30)13-23(24)26/h1-13H,27-30H2,(H,31,32).
What are the key properties of 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid?
2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid has a molecular weight of 422.49 g/mol, XLogP of 4.08, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diamino-9,9-bis(3-aminophenyl)fluorene-4-carboxylic acid is sourced from PubChem (CID 139817208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).