1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine

C28H24N2 — CID 142381934

IUPAC1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine
SMILES[H]/N=C(\C)n1c2ccccc2c2ccc(C)c(-c3ccccc3Cc3ccccc3)c21
InChIInChI=1S/C28H24N2/c1-19-16-17-25-24-14-8-9-15-26(24)30(20(2)29)28(25)27(19)23-13-7-6-12-22(23)18-21-10-4-3-5-11-21/h3-17,29H,18H2,1-2H3/b29-20+
InChIKeyBSXPVVUMTMZFPF-ZTKZIYFRSA-N
MW388.51 g/mol
LogP7.21
Rot. Bonds3

About 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine

1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine (PubChem CID 142381934) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine.

Molecular Properties

Compound Name1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine
PubChem CID142381934
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine
SMILES[H]/N=C(\C)n1c2ccccc2c2ccc(C)c(-c3ccccc3Cc3ccccc3)c21
InChIInChI=1S/C28H24N2/c1-19-16-17-25-24-14-8-9-15-26(24)30(20(2)29)28(25)27(19)23-13-7-6-12-22(23)18-21-10-4-3-5-11-21/h3-17,29H,18H2,1-2H3/b29-20+
InChIKeyBSXPVVUMTMZFPF-ZTKZIYFRSA-N
XLogP7.21
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-benzylphenyl)-2-(2-methylnaphthalen-1-yl)naphthalene
CID 142358864
4-ethanimidoyl-1,2-dihydropyrazolo[4,3-b]indol-3-one
CID 168942656
1,2,3,4,5-pentabenzyl-6-(2-benzylphenyl)benzene
CID 170735831
(Z)-N-benzyl-1-[3,5-bis(benzo[a]carbazol-11-yl)phenyl]-3-(2-phenylphenyl)prop-1-en-1-amine
CID 135245855
3-(4-benzylphenyl)-9-(2-methylphenyl)carbazole
CID 157348806
N-(2-methylphenyl)-2-phenyl-1-(26-thia-8-azaheptacyclo[21.2.1.05,25.06,18.07,15.09,14.019,24]hexacosa-1,3,5,7(15),9,11,13,16,18,20,22,24-dodecaen-8-yl)ethanimine
CID 166096388
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
4-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 54485744
[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
4-(2-methylphenyl)-9-(4-phenylphenyl)-3-[(4-phenylphenyl)methyl]carbazole
CID 177063531
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
9-[4-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]phenyl]carbazole;3-[4-[4-[4-(naphthalen-2-ylmethyl)phenyl]phenyl]phenyl]-9-phenylcarbazole;9-[4-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[4-[(2-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole;9-phenyl-3-[4-[4-[4-[(3-phenylphenyl)methyl]phenyl]phenyl]phenyl]carbazole
CID 158008709

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine?
The IUPAC name of 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine (CID 142381934) is 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine.
What is the SMILES notation for 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine?
The canonical SMILES for 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine is [H]/N=C(\C)n1c2ccccc2c2ccc(C)c(-c3ccccc3Cc3ccccc3)c21.
What is the InChIKey of 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine?
The InChIKey is BSXPVVUMTMZFPF-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H24N2/c1-19-16-17-25-24-14-8-9-15-26(24)30(20(2)29)28(25)27(19)23-13-7-6-12-22(23)18-21-10-4-3-5-11-21/h3-17,29H,18H2,1-2H3/b29-20+.
What are the key properties of 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine?
1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine has a molecular weight of 388.51 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-benzylphenyl)-2-methylcarbazol-9-yl]ethanimine is sourced from PubChem (CID 142381934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).