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Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate

C27H30ClN3O2 — CID 171793465

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate
SMILESCc1ccc(Nc2cc(CCNC(=O)OC(C)(C)C)c3[nH]c4cc(C)c(Cl)cc4c3c2)cc1
InChIInChI=1S/C27H30ClN3O2/c1-16-6-8-19(9-7-16)30-20-13-18(10-11-29-26(32)33-27(3,4)5)25-22(14-20)21-15-23(28)17(2)12-24(21)31-25/h6-9,12-15,30-31H,10-11H2,1-5H3,(H,29,32)
InChIKeyXPHYFZAQIPOBHB-UHFFFAOYSA-N
MW464.01 g/mol
LogP7.40
Rot. Bonds5

About Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate

Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate (PubChem CID 171793465) has the molecular formula C27H30ClN3O2 and a molecular weight of 464.01 g/mol. Its IUPAC name is tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate
PubChem CID171793465
Molecular FormulaC27H30ClN3O2
Molecular Weight464.01 g/mol
Exact Mass463.20
IUPAC Nametert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate
SMILESCc1ccc(Nc2cc(CCNC(=O)OC(C)(C)C)c3[nH]c4cc(C)c(Cl)cc4c3c2)cc1
InChIInChI=1S/C27H30ClN3O2/c1-16-6-8-19(9-7-16)30-20-13-18(10-11-29-26(32)33-27(3,4)5)25-22(14-20)21-15-23(28)17(2)12-24(21)31-25/h6-9,12-15,30-31H,10-11H2,1-5H3,(H,29,32)
InChIKeyXPHYFZAQIPOBHB-UHFFFAOYSA-N
XLogP7.40
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.01
LogP ≤ 57.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate?
The IUPAC name of Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate (CID 171793465) is tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate.
What is the SMILES notation for Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate?
The canonical SMILES for Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate is Cc1ccc(Nc2cc(CCNC(=O)OC(C)(C)C)c3[nH]c4cc(C)c(Cl)cc4c3c2)cc1.
What is the InChIKey of Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate?
The InChIKey is XPHYFZAQIPOBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O2/c1-16-6-8-19(9-7-16)30-20-13-18(10-11-29-26(32)33-27(3,4)5)25-22(14-20)21-15-23(28)17(2)12-24(21)31-25/h6-9,12-15,30-31H,10-11H2,1-5H3,(H,29,32).
What are the key properties of Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate?
Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate has a molecular weight of 464.01 g/mol, XLogP of 7.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[2-[6-chloro-7-methyl-3-(4-methylanilino)-9H-carbazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 171793465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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