4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline

C30H29N3O2 — CID 22900228

IUPAC4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
SMILESCOc1ccc(N(/N=C/c2ccc3c(c2)c2ccccc2n3C(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H29N3O2/c1-21(2)32-29-8-6-5-7-27(29)28-19-22(9-18-30(28)32)20-31-33(23-10-14-25(34-3)15-11-23)24-12-16-26(35-4)17-13-24/h5-21H,1-4H3/b31-20+
InChIKeyARTBVVCMWQQJCF-AJBULDERSA-N
MW463.58 g/mol
LogP7.56
Rot. Bonds7

About 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline

4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline (PubChem CID 22900228) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
PubChem CID22900228
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
SMILESCOc1ccc(N(/N=C/c2ccc3c(c2)c2ccccc2n3C(C)C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H29N3O2/c1-21(2)32-29-8-6-5-7-27(29)28-19-22(9-18-30(28)32)20-31-33(23-10-14-25(34-3)15-11-23)24-12-16-26(35-4)17-13-24/h5-21H,1-4H3/b31-20+
InChIKeyARTBVVCMWQQJCF-AJBULDERSA-N
XLogP7.56
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
N-[(9-ethynylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 59922674
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
9-methoxy-5-propan-2-ylcyclohepta[b]indol-6-one
CID 139810032
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
CID 74016610
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
The IUPAC name of 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline (CID 22900228) is 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline.
What is the SMILES notation for 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
The canonical SMILES for 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline is COc1ccc(N(/N=C/c2ccc3c(c2)c2ccccc2n3C(C)C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
The InChIKey is ARTBVVCMWQQJCF-AJBULDERSA-N. The full InChI is InChI=1S/C30H29N3O2/c1-21(2)32-29-8-6-5-7-27(29)28-19-22(9-18-30(28)32)20-31-33(23-10-14-25(34-3)15-11-23)24-12-16-26(35-4)17-13-24/h5-21H,1-4H3/b31-20+.
What are the key properties of 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline?
4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline has a molecular weight of 463.58 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methoxyphenyl)-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline is sourced from PubChem (CID 22900228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).