N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline

C44H38N4 — CID 155899468

IUPACN-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline
SMILESC=Cc1ccc(CN(N=Cc2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5CC)ccc2n3CC)c2ccccc2)cc1
InChIInChI=1S/C44H38N4/c1-4-31-16-18-32(19-17-31)30-48(36-12-8-7-9-13-36)45-29-33-20-23-42-38(26-33)40-28-35(22-25-44(40)47(42)6-3)34-21-24-43-39(27-34)37-14-10-11-15-41(37)46(43)5-2/h4,7-29H,1,5-6,30H2,2-3H3
InChIKeyJHLVFMASAIQPOT-UHFFFAOYSA-N
MW622.82 g/mol
LogP11.29
Rot. Bonds9

About N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline

N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline (PubChem CID 155899468) has the molecular formula C44H38N4 and a molecular weight of 622.82 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline
PubChem CID155899468
Molecular FormulaC44H38N4
Molecular Weight622.82 g/mol
Exact Mass622.31
IUPAC NameN-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline
SMILESC=Cc1ccc(CN(N=Cc2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5CC)ccc2n3CC)c2ccccc2)cc1
InChIInChI=1S/C44H38N4/c1-4-31-16-18-32(19-17-31)30-48(36-12-8-7-9-13-36)45-29-33-20-23-42-38(26-33)40-28-35(22-25-44(40)47(42)6-3)34-21-24-43-39(27-34)37-14-10-11-15-41(37)46(43)5-2/h4,7-29H,1,5-6,30H2,2-3H3
InChIKeyJHLVFMASAIQPOT-UHFFFAOYSA-N
XLogP11.29
TPSA25.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.82
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrahydro-2,8-dimethyl-5-(4-methylphenethyl)-1H-pyrido[4,3-b]indole
CID 44126269
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CID 46222450
N-ethyl-N-((1-octyl-5-p-tolyl-1H-indol-3-yl)methyl)ethanamine
CID 49780331
1-octyl-3-(pyrrolidin-1-ylmethyl)-5-m-tolyl-1H-indole
CID 49783394
1-Pentyl-3-[(1-pentylindol-1-ium-3-ylidene)-(1-pentylindol-3-yl)methyl]indole
CID 52948379
2-methyl-5-[9-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)nonyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 122186442
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
9H-Carbazole-3-carboxaldehyde, 9-ethyl-, 2,2-diphenylhydrazone
CID 9577933
9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole
CID 71699739
1'-[(9-ethyl-9H-carbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]
CID 30979231
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-methylquinolin-4-amine
CID 44537213
3-(1-Methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)-1-pyridin-4-ylindole
CID 71508682

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline (CID 155899468) is N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline is C=Cc1ccc(CN(N=Cc2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5CC)ccc2n3CC)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline?
The InChIKey is JHLVFMASAIQPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38N4/c1-4-31-16-18-32(19-17-31)30-48(36-12-8-7-9-13-36)45-29-33-20-23-42-38(26-33)40-28-35(22-25-44(40)47(42)6-3)34-21-24-43-39(27-34)37-14-10-11-15-41(37)46(43)5-2/h4,7-29H,1,5-6,30H2,2-3H3.
What are the key properties of N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline?
N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline has a molecular weight of 622.82 g/mol, XLogP of 11.29, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-N-[[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]methylideneamino]aniline is sourced from PubChem (CID 155899468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).