[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine

C49H34N2 — CID 129084260

IUPAC[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine
SMILES[H]/N=C/c1c(C=C)n(-c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C49H34N2/c1-2-46-45(32-50)43-30-38(25-29-47(43)51(46)39-26-22-34(23-27-39)33-14-6-3-7-15-33)37-24-28-42-44(31-37)49(36-18-10-5-11-19-36)41-21-13-12-20-40(41)48(42)35-16-8-4-9-17-35/h2-32,50H,1H2/b50-32+
InChIKeyMQAYJPFDVSCVBZ-SPZKPGDRSA-N
MW650.83 g/mol
LogP13.25
Rot. Bonds7

About [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine

[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine (PubChem CID 129084260) has the molecular formula C49H34N2 and a molecular weight of 650.83 g/mol. Its IUPAC name is [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine.

Molecular Properties

Compound Name[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine
PubChem CID129084260
Molecular FormulaC49H34N2
Molecular Weight650.83 g/mol
Exact Mass650.27
IUPAC Name[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine
SMILES[H]/N=C/c1c(C=C)n(-c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc12
InChIInChI=1S/C49H34N2/c1-2-46-45(32-50)43-30-38(25-29-47(43)51(46)39-26-22-34(23-27-39)33-14-6-3-7-15-33)37-24-28-42-44(31-37)49(36-18-10-5-11-19-36)41-21-13-12-20-40(41)48(42)35-16-8-4-9-17-35/h2-32,50H,1H2/b50-32+
InChIKeyMQAYJPFDVSCVBZ-SPZKPGDRSA-N
XLogP13.25
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 513.25
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-(3-methylphenyl)indol-3-yl]methanimine
CID 144756301
2-[6,7-bis(ethenyl)-5,8-diphenylnaphthalen-2-yl]-5-(4-phenylphenyl)phenanthridin-6-one
CID 142363203
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
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
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
12-[4-[10-phenyl-3-(4-phenylphenyl)anthracen-9-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130377435
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylphenanthridin-6-one
CID 134576445
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
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
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-(3,10-diphenylanthracen-9-yl)phenyl]-1-phenylcarbazole
CID 130377342

Frequently Asked Questions

What is the IUPAC name of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine?
The IUPAC name of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine (CID 129084260) is [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine.
What is the SMILES notation for [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine?
The canonical SMILES for [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine is [H]/N=C/c1c(C=C)n(-c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc12.
What is the InChIKey of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine?
The InChIKey is MQAYJPFDVSCVBZ-SPZKPGDRSA-N. The full InChI is InChI=1S/C49H34N2/c1-2-46-45(32-50)43-30-38(25-29-47(43)51(46)39-26-22-34(23-27-39)33-14-6-3-7-15-33)37-24-28-42-44(31-37)49(36-18-10-5-11-19-36)41-21-13-12-20-40(41)48(42)35-16-8-4-9-17-35/h2-32,50H,1H2/b50-32+.
What are the key properties of [5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine?
[5-(9,10-diphenylanthracen-2-yl)-2-ethenyl-1-(4-phenylphenyl)indol-3-yl]methanimine has a molecular weight of 650.83 g/mol, XLogP of 13.25, 7 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-(4-phenylphenyl)indol-3-yl]methanimine is sourced from PubChem (CID 129084260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).