4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid

C32H32N2O2 — CID 10322761

IUPAC4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)cn(-c2cccnc2)c1-3
InChIInChI=1S/C32H32N2O2/c1-31(2)13-14-32(3,4)28-17-25-22(16-27(28)31)11-12-24-26(20-7-9-21(10-8-20)30(35)36)19-34(29(24)25)23-6-5-15-33-18-23/h5-10,15-19H,11-14H2,1-4H3,(H,35,36)
InChIKeyBEYSZOLVRPEUBH-UHFFFAOYSA-N
MW476.62 g/mol
LogP7.35
Rot. Bonds3

About 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid

4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid (PubChem CID 10322761) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid
PubChem CID10322761
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)cn(-c2cccnc2)c1-3
InChIInChI=1S/C32H32N2O2/c1-31(2)13-14-32(3,4)28-17-25-22(16-27(28)31)11-12-24-26(20-7-9-21(10-8-20)30(35)36)19-34(29(24)25)23-6-5-15-33-18-23/h5-10,15-19H,11-14H2,1-4H3,(H,35,36)
InChIKeyBEYSZOLVRPEUBH-UHFFFAOYSA-N
XLogP7.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid?
The IUPAC name of 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid (CID 10322761) is 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid.
What is the SMILES notation for 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid?
The canonical SMILES for 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid is CC1(C)CCC(C)(C)c2cc3c(cc21)CCc1c(-c2ccc(C(=O)O)cc2)cn(-c2cccnc2)c1-3.
What is the InChIKey of 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid?
The InChIKey is BEYSZOLVRPEUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-31(2)13-14-32(3,4)28-17-25-22(16-27(28)31)11-12-24-26(20-7-9-21(10-8-20)30(35)36)19-34(29(24)25)23-6-5-15-33-18-23/h5-10,15-19H,11-14H2,1-4H3,(H,35,36).
What are the key properties of 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid?
4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid has a molecular weight of 476.62 g/mol, XLogP of 7.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7,10,10-tetramethyl-1-pyridin-3-yl-4,5,8,9-tetrahydronaphtho[2,3-g]indol-3-yl)benzoic acid is sourced from PubChem (CID 10322761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).