1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine

C44H46N4 — CID 135244363

IUPAC1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine
SMILESC/C=C\c1c(C)c(N(c2ccc(C(C)(C)C)cc2)c2ccccn2)c2ccccc2c1N(c1ccc(C(C)(C)C)cc1)c1ccccn1
InChIInChI=1S/C44H46N4/c1-9-16-36-31(2)41(47(39-19-12-14-29-45-39)34-25-21-32(22-26-34)43(3,4)5)37-17-10-11-18-38(37)42(36)48(40-20-13-15-30-46-40)35-27-23-33(24-28-35)44(6,7)8/h9-30H,1-8H3/b16-9-
InChIKeyMVZFSKPDINQKFA-SXGWCWSVSA-N
MW630.88 g/mol
LogP12.51
Rot. Bonds7

About 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine

1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine (PubChem CID 135244363) has the molecular formula C44H46N4 and a molecular weight of 630.88 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine
PubChem CID135244363
Molecular FormulaC44H46N4
Molecular Weight630.88 g/mol
Exact Mass630.37
IUPAC Name1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine
SMILESC/C=C\c1c(C)c(N(c2ccc(C(C)(C)C)cc2)c2ccccn2)c2ccccc2c1N(c1ccc(C(C)(C)C)cc1)c1ccccn1
InChIInChI=1S/C44H46N4/c1-9-16-36-31(2)41(47(39-19-12-14-29-45-39)34-25-21-32(22-26-34)43(3,4)5)37-17-10-11-18-38(37)42(36)48(40-20-13-15-30-46-40)35-27-23-33(24-28-35)44(6,7)8/h9-30H,1-8H3/b16-9-
InChIKeyMVZFSKPDINQKFA-SXGWCWSVSA-N
XLogP12.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.88
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
N-(4-tert-butylphenyl)-N-methylpyridin-2-amine
CID 91397569
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
1-N,1-N-dipyridin-2-yl-4-N,4-N-bis(2,4,6-trimethylphenyl)benzene-1,4-diamine
CID 177074307
N-(4-tert-butylphenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-tert-butyl-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
CID 59246471
6-[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]-N-pyridin-2-ylpyridin-2-amine
CID 90126676
9-N,10-N-bis(4-bromophenyl)-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59180638
9,10-ditert-butyl-7-N,7-N-diphenyl-2-N,2-N-dipyridin-2-ylanthracene-2,7-diamine
CID 59194887
9-N,10-N-bis(4-tert-butyl-2,6-dimethylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371061
10-bis[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]boranyl-N,N-bis(4-tert-butylphenyl)anthracen-9-amine
CID 102104586
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
N-[4-[[4-(dipyridin-2-ylamino)phenyl]-dimethylsilyl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 101222424

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine (CID 135244363) is 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine is C/C=C\c1c(C)c(N(c2ccc(C(C)(C)C)cc2)c2ccccn2)c2ccccc2c1N(c1ccc(C(C)(C)C)cc1)c1ccccn1.
What is the InChIKey of 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine?
The InChIKey is MVZFSKPDINQKFA-SXGWCWSVSA-N. The full InChI is InChI=1S/C44H46N4/c1-9-16-36-31(2)41(47(39-19-12-14-29-45-39)34-25-21-32(22-26-34)43(3,4)5)37-17-10-11-18-38(37)42(36)48(40-20-13-15-30-46-40)35-27-23-33(24-28-35)44(6,7)8/h9-30H,1-8H3/b16-9-.
What are the key properties of 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine?
1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine has a molecular weight of 630.88 g/mol, XLogP of 12.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine is sourced from PubChem (CID 135244363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).