bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol

C29H36N4O — CID 15890498

IUPACbis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol
SMILESCN(C)c1cccc2c(C(O)c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12
InChIInChI=1S/C29H36N4O/c1-30(2)23-13-9-11-19-21(15-17-25(27(19)23)32(5)6)29(34)22-16-18-26(33(7)8)28-20(22)12-10-14-24(28)31(3)4/h9-18,29,34H,1-8H3
InChIKeyVXDDTBKMTWWTNP-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.34
Rot. Bonds6

About bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol

bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol (PubChem CID 15890498) has the molecular formula C29H36N4O and a molecular weight of 456.63 g/mol. Its IUPAC name is bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol.

Molecular Properties

Compound Namebis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol
PubChem CID15890498
Molecular FormulaC29H36N4O
Molecular Weight456.63 g/mol
Exact Mass456.29
IUPAC Namebis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol
SMILESCN(C)c1cccc2c(C(O)c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12
InChIInChI=1S/C29H36N4O/c1-30(2)23-13-9-11-19-21(15-17-25(27(19)23)32(5)6)29(34)22-16-18-26(33(7)8)28-20(22)12-10-14-24(28)31(3)4/h9-18,29,34H,1-8H3
InChIKeyVXDDTBKMTWWTNP-UHFFFAOYSA-N
XLogP5.34
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[4,5-bis(dimethylamino)naphthalen-1-yl]ethanol
CID 2327108
1-N,1-N,8-N,8-N,4-pentamethylnaphthalene-1,8-diamine
CID 15890494
[4-(dimethylamino)naphthalen-1-yl]-[4-(dimethylamino)phenyl]methanol
CID 44580866
[1,8-bis(dimethylamino)naphthalen-2-yl]-[2-(dimethylamino)phenyl]methanol
CID 54753234
4-[(E)-[(E)-[4,5-bis(dimethylamino)naphthalen-1-yl]methylidenehydrazinylidene]methyl]-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 14437588
1-[4,5-bis(dimethylamino)naphthalen-1-yl]-2,2,2-trifluoroethanone
CID 2327126
1-N,1-N,8-N,8-N-tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-1,8-diamine
CID 56924972
[5-[tert-butyl(dimethyl)silyl]oxy-8-(dimethylamino)naphthalen-1-yl]-phenylmethanol
CID 11101598
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
4-iodo-N,N,8-trimethylnaphthalen-1-amine
CID 135022993
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
bis[2,6-bis(dimethylamino)phenyl]tin
CID 11282229

Frequently Asked Questions

What is the IUPAC name of bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol?
The IUPAC name of bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol (CID 15890498) is bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol.
What is the SMILES notation for bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol?
The canonical SMILES for bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol is CN(C)c1cccc2c(C(O)c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12.
What is the InChIKey of bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol?
The InChIKey is VXDDTBKMTWWTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O/c1-30(2)23-13-9-11-19-21(15-17-25(27(19)23)32(5)6)29(34)22-16-18-26(33(7)8)28-20(22)12-10-14-24(28)31(3)4/h9-18,29,34H,1-8H3.
What are the key properties of bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol?
bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol has a molecular weight of 456.63 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4,5-bis(dimethylamino)naphthalen-1-yl]methanol is sourced from PubChem (CID 15890498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).