[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine

C44H32N2 — CID 144756301

IUPAC[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine
SMILES[H]/N=C/c1c(C=C)n(-c2cccc(C)c2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C44H32N2/c1-3-41-40(28-45)38-26-33(22-24-42(38)46(41)34-18-12-13-29(2)25-34)32-21-23-37-39(27-32)44(31-16-8-5-9-17-31)36-20-11-10-19-35(36)43(37)30-14-6-4-7-15-30/h3-28,45H,1H2,2H3/b45-28+
InChIKeyZYGKAQQDVNLRMV-DYNJLWMLSA-N
MW588.75 g/mol
LogP11.89
Rot. Bonds6

About [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine

[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine (PubChem CID 144756301) has the molecular formula C44H32N2 and a molecular weight of 588.75 g/mol. Its IUPAC name is [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine.

Molecular Properties

Compound Name[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine
PubChem CID144756301
Molecular FormulaC44H32N2
Molecular Weight588.75 g/mol
Exact Mass588.26
IUPAC Name[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine
SMILES[H]/N=C/c1c(C=C)n(-c2cccc(C)c2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C44H32N2/c1-3-41-40(28-45)38-26-33(22-24-42(38)46(41)34-18-12-13-29(2)25-34)32-21-23-37-39(27-32)44(31-16-8-5-9-17-31)36-20-11-10-19-35(36)43(37)30-14-6-4-7-15-30/h3-28,45H,1H2,2H3/b45-28+
InChIKeyZYGKAQQDVNLRMV-DYNJLWMLSA-N
XLogP11.89
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.75
LogP ≤ 511.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine
CID 129084260
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole
CID 162048953
ethane;3-[6-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indol-5-yl]-9,10-diphenylanthracen-2-yl]-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazole
CID 143933879
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
N-[4-[2-ethenyl-1-(3-methylphenyl)-3-[(Z)-prop-1-enyl]indol-5-yl]phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118487124
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172

Frequently Asked Questions

What is the IUPAC name of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine?
The IUPAC name of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine (CID 144756301) is [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine.
What is the SMILES notation for [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine?
The canonical SMILES for [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine is [H]/N=C/c1c(C=C)n(-c2cccc(C)c2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc12.
What is the InChIKey of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine?
The InChIKey is ZYGKAQQDVNLRMV-DYNJLWMLSA-N. The full InChI is InChI=1S/C44H32N2/c1-3-41-40(28-45)38-26-33(22-24-42(38)46(41)34-18-12-13-29(2)25-34)32-21-23-37-39(27-32)44(31-16-8-5-9-17-31)36-20-11-10-19-35(36)43(37)30-14-6-4-7-15-30/h3-28,45H,1H2,2H3/b45-28+.
What are the key properties of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine?
[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine has a molecular weight of 588.75 g/mol, XLogP of 11.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(3-methylphenyl)indol-3-yl]methanimine is sourced from PubChem (CID 144756301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).