4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid

C32H25NO2 — CID 139978989

IUPAC4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C32H25NO2/c1-32(2)29-10-6-5-9-27(29)28-18-17-26(20-30(28)32)33(24-14-12-22(13-15-24)31(34)35)25-16-11-21-7-3-4-8-23(21)19-25/h3-20H,1-2H3,(H,34,35)
InChIKeyPWCAUZSTARAMRV-UHFFFAOYSA-N
MW455.56 g/mol
LogP8.31
Rot. Bonds4

About 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid

4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid (PubChem CID 139978989) has the molecular formula C32H25NO2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid.

Molecular Properties

Compound Name4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
PubChem CID139978989
Molecular FormulaC32H25NO2
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C32H25NO2/c1-32(2)29-10-6-5-9-27(29)28-18-17-26(20-30(28)32)33(24-14-12-22(13-15-24)31(34)35)25-16-11-21-7-3-4-8-23(21)19-25/h3-20H,1-2H3,(H,34,35)
InChIKeyPWCAUZSTARAMRV-UHFFFAOYSA-N
XLogP8.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(9,9-dimethylfluoren-2-yl)-(6-ethylnaphthalen-2-yl)amino]phenyl]benzoic acid
CID 139978835
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
4-[4-[[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-naphthalen-1-ylamino]phenyl]benzoic acid
CID 139978890
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
4-[4-(N-(7,9,9-trimethylfluoren-2-yl)anilino)phenyl]benzoic acid
CID 139978978
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 146644241
9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 134432391
12,12,20,20-tetramethyl-N-naphthalen-2-yl-N,2,16-triphenylheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(28),2,4,6(11),7,9,13,15,17,19(27),21,23,25-tridecaen-9-amine
CID 89024604

Frequently Asked Questions

What is the IUPAC name of 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid?
The IUPAC name of 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid (CID 139978989) is 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid.
What is the SMILES notation for 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid?
The canonical SMILES for 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid is CC1(C)c2ccccc2-c2ccc(N(c3ccc(C(=O)O)cc3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid?
The InChIKey is PWCAUZSTARAMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO2/c1-32(2)29-10-6-5-9-27(29)28-18-17-26(20-30(28)32)33(24-14-12-22(13-15-24)31(34)35)25-16-11-21-7-3-4-8-23(21)19-25/h3-20H,1-2H3,(H,34,35).
What are the key properties of 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid?
4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid has a molecular weight of 455.56 g/mol, XLogP of 8.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]benzoic acid is sourced from PubChem (CID 139978989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).