1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine

C32H50N2Si2 — CID 73211982

IUPAC1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine
SMILESCC(C)[Si](C#Cc1c(N)c(N)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C32H50N2Si2/c1-21(2)35(22(3)4,23(5)6)19-17-29-27-15-13-14-16-28(27)30(32(34)31(29)33)18-20-36(24(7)8,25(9)10)26(11)12/h13-16,21-26H,33-34H2,1-12H3
InChIKeyNZIWEZJZPHIFJP-UHFFFAOYSA-N
MW518.94 g/mol
LogP9.14
Rot. Bonds6

About 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine

1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine (PubChem CID 73211982) has the molecular formula C32H50N2Si2 and a molecular weight of 518.94 g/mol. Its IUPAC name is 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine.

Molecular Properties

Compound Name1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine
PubChem CID73211982
Molecular FormulaC32H50N2Si2
Molecular Weight518.94 g/mol
Exact Mass518.35
IUPAC Name1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine
SMILESCC(C)[Si](C#Cc1c(N)c(N)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(C(C)C)C(C)C
InChIInChI=1S/C32H50N2Si2/c1-21(2)35(22(3)4,23(5)6)19-17-29-27-15-13-14-16-28(27)30(32(34)31(29)33)18-20-36(24(7)8,25(9)10)26(11)12/h13-16,21-26H,33-34H2,1-12H3
InChIKeyNZIWEZJZPHIFJP-UHFFFAOYSA-N
XLogP9.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.94
LogP ≤ 59.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)-[2-[1,2,3,4-tetrachloro-6-[2-tri(propan-2-yl)silylethynyl]benzo[b]phenazin-11-yl]ethynyl]silane
CID 46897883
2-pentacen-6-ylethynyl-tri(propan-2-yl)silane
CID 141495098
tri(propan-2-yl)-[2-[5-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]ethynyl]silane
CID 169050439
2-[1-[2-tri(propan-2-yl)silylethynyl]naphthalen-2-yl]ethanamine;hydrochloride
CID 142472984
2,5-bis[9,10-bis[2-tri(propan-2-yl)silylethynyl]anthracen-2-yl]terephthalaldehyde
CID 138984209
2-(13-ethynylpentacen-6-yl)ethynyl-tri(propan-2-yl)silane
CID 102307090
tri(propan-2-yl)-[2-[(2Z,26Z)-20,33,44-tris[2-tri(propan-2-yl)silylethynyl]-9-undecacyclo[26.20.0.04,25.06,23.08,21.010,19.012,17.030,47.032,45.034,43.036,41]octatetraconta-1(48),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46-tetracosaenyl]ethynyl]silane
CID 132506304
2-chloro-6-[2-tri(propan-2-yl)silylethynyl]aniline
CID 123985583
trimethoxy-[2-[13-(2-trimethoxysilylethynyl)pentacen-6-yl]ethynyl]silane;tri(propan-2-yl)-[2-[13-[2-tri(propan-2-yl)silylethynyl]pentacen-6-yl]ethynyl]silane
CID 87137313
tri(propan-2-yl)-[2-[22-[2-tri(propan-2-yl)silylethynyl]-7-octacyclo[21.7.1.18,12.02,21.04,19.06,17.027,31.016,32]dotriaconta-1(30),2,4,6,8,10,12(32),13,15,17,19,21,23,25,27(31),28-hexadecaenyl]ethynyl]silane
CID 102345338
tri(propan-2-yl)-[2-[1,9,16,24-tetraphenyl-20-[2-tri(propan-2-yl)silylethynyl]-31,32-dioxanonacyclo[22.6.1.19,16.02,23.04,21.06,19.08,17.010,15.025,30]dotriaconta-2(23),3,5,7,10,12,14,17,19,21,25,27,29-tridecaen-5-yl]ethynyl]silane
CID 134887632
2-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[4-[2,6-ditert-butyl-10-[2-tri(propan-2-yl)silylethynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]buta-1,3-diynyl]anthracen-9-yl]ethynyl-tri(propan-2-yl)silane
CID 132506214

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine?
The IUPAC name of 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine (CID 73211982) is 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine.
What is the SMILES notation for 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine?
The canonical SMILES for 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine is CC(C)[Si](C#Cc1c(N)c(N)c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2ccccc12)(C(C)C)C(C)C.
What is the InChIKey of 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine?
The InChIKey is NZIWEZJZPHIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2Si2/c1-21(2)35(22(3)4,23(5)6)19-17-29-27-15-13-14-16-28(27)30(32(34)31(29)33)18-20-36(24(7)8,25(9)10)26(11)12/h13-16,21-26H,33-34H2,1-12H3.
What are the key properties of 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine?
1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine has a molecular weight of 518.94 g/mol, XLogP of 9.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-tri(propan-2-yl)silylethynyl]naphthalene-2,3-diamine is sourced from PubChem (CID 73211982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).