[6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate

C46H34N2O4 — CID 58520170

IUPAC[6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1
InChIInChI=1S/C46H34N2O4/c1-29(2)45(49)51-39-23-15-31-25-37(17-13-33(31)27-39)47(38-18-14-34-28-40(24-16-32(34)26-38)52-46(50)30(3)4)35-19-21-36(22-20-35)48-43-11-7-5-9-41(43)42-10-6-8-12-44(42)48/h5-28H,1,3H2,2,4H3
InChIKeyIBWPIWRKHGZCEI-UHFFFAOYSA-N
MW678.79 g/mol
LogP11.52
Rot. Bonds8

About [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate

[6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 58520170) has the molecular formula C46H34N2O4 and a molecular weight of 678.79 g/mol. Its IUPAC name is [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID58520170
Molecular FormulaC46H34N2O4
Molecular Weight678.79 g/mol
Exact Mass678.25
IUPAC Name[6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc2cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1
InChIInChI=1S/C46H34N2O4/c1-29(2)45(49)51-39-23-15-31-25-37(17-13-33(31)27-39)47(38-18-14-34-28-40(24-16-32(34)26-38)52-46(50)30(3)4)35-19-21-36(22-20-35)48-43-11-7-5-9-41(43)42-10-6-8-12-44(42)48/h5-28H,1,3H2,2,4H3
InChIKeyIBWPIWRKHGZCEI-UHFFFAOYSA-N
XLogP11.52
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl] 2-methylprop-2-enoate
CID 155469214
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
CID 59747054
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291

Frequently Asked Questions

What is the IUPAC name of [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate (CID 58520170) is [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc2cc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4cc(OC(=O)C(=C)C)ccc4c3)ccc2c1.
What is the InChIKey of [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is IBWPIWRKHGZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O4/c1-29(2)45(49)51-39-23-15-31-25-37(17-13-33(31)27-39)47(38-18-14-34-28-40(24-16-32(34)26-38)52-46(50)30(3)4)35-19-21-36(22-20-35)48-43-11-7-5-9-41(43)42-10-6-8-12-44(42)48/h5-28H,1,3H2,2,4H3.
What are the key properties of [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate?
[6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 678.79 g/mol, XLogP of 11.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-carbazol-9-yl-N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]anilino)naphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 58520170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).