N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine

C44H32N2S — CID 176877802

IUPACN,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine
SMILESCC(C)c1ccc(-c2nc3c(ccc4ccc5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c43)s2)cc1
InChIInChI=1S/C44H32N2S/c1-28(2)29-11-15-34(16-12-29)44-45-43-41(47-44)24-20-33-14-13-32-19-23-39(27-40(32)42(33)43)46(37-21-17-30-7-3-5-9-35(30)25-37)38-22-18-31-8-4-6-10-36(31)26-38/h3-28H,1-2H3
InChIKeyFJJGTLSXZLHDSA-UHFFFAOYSA-N
MW620.82 g/mol
LogP13.17
Rot. Bonds5

About N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine

N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine (PubChem CID 176877802) has the molecular formula C44H32N2S and a molecular weight of 620.82 g/mol. Its IUPAC name is N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine
PubChem CID176877802
Molecular FormulaC44H32N2S
Molecular Weight620.82 g/mol
Exact Mass620.23
IUPAC NameN,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine
SMILESCC(C)c1ccc(-c2nc3c(ccc4ccc5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c43)s2)cc1
InChIInChI=1S/C44H32N2S/c1-28(2)29-11-15-34(16-12-29)44-45-43-41(47-44)24-20-33-14-13-32-19-23-39(27-40(32)42(33)43)46(37-21-17-30-7-3-5-9-35(30)25-37)38-22-18-31-8-4-6-10-36(31)26-38/h3-28H,1-2H3
InChIKeyFJJGTLSXZLHDSA-UHFFFAOYSA-N
XLogP13.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.82
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-amine
CID 171411539
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167123743
2-N,7-N-bis[4-(1,3-benzothiazol-2-yl)phenyl]-2-N,7-N-dinaphthalen-2-ylphenanthrene-2,7-diamine
CID 170266652
2-N,6-N-dinaphthalen-2-yl-9,10-diphenyl-2-N,6-N-bis(4-propan-2-ylphenyl)anthracene-2,6-diamine
CID 143986181
N-phenyl-N-(4-propan-2-ylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 90263586
9,9-dimethyl-N-[4-(2-naphthalen-2-ylnaphtho[1,2-e][1,3]benzothiazol-9-yl)phenyl]-N-phenylfluoren-2-amine
CID 171607645
N,4-diphenyl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]aniline;N-naphthalen-1-yl-N-[4-(2-phenylnaphtho[1,2-e][1,3]benzoxazol-10-yl)phenyl]naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)naphtho[1,2-e][1,3]benzothiazol-9-yl]phenyl]aniline
CID 159412257
N-dibenzofuran-2-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzothiazol-9-amine
CID 167125100
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzothiazol-8-amine
CID 167123376
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411554
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
2-N,2-N,11-N-tris(4-tert-butylphenyl)-11-N-(4-propan-2-ylphenyl)benzo[c]phenanthrene-2,11-diamine
CID 91347233

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine?
The IUPAC name of N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine (CID 176877802) is N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine.
What is the SMILES notation for N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine?
The canonical SMILES for N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine is CC(C)c1ccc(-c2nc3c(ccc4ccc5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c43)s2)cc1.
What is the InChIKey of N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine?
The InChIKey is FJJGTLSXZLHDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2S/c1-28(2)29-11-15-34(16-12-29)44-45-43-41(47-44)24-20-33-14-13-32-19-23-39(27-40(32)42(33)43)46(37-21-17-30-7-3-5-9-35(30)25-37)38-22-18-31-8-4-6-10-36(31)26-38/h3-28H,1-2H3.
What are the key properties of N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine?
N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine has a molecular weight of 620.82 g/mol, XLogP of 13.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-2-yl-2-(4-propan-2-ylphenyl)naphtho[1,2-e][1,3]benzothiazol-10-amine is sourced from PubChem (CID 176877802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).