phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine

C52H36N2 — CID 118145162

IUPACphenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine
SMILES[H]/N=C(\c1ccccc1)c1cc(-c2ccccc2)ccc1/C=C/n1c2ccccc2c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H36N2/c53-51(38-18-6-2-7-19-38)46-34-39(36-16-4-1-5-17-36)29-28-37(46)32-33-54-49-27-15-12-24-44(49)45-31-30-41(35-50(45)54)52(40-20-8-3-9-21-40)47-25-13-10-22-42(47)43-23-11-14-26-48(43)52/h1-35,53H/b33-32+,53-51+
InChIKeySVCCTRLNGSFSLW-RAXMEIQJSA-N
MW688.87 g/mol
LogP12.87
Rot. Bonds7

About phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine

phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine (PubChem CID 118145162) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine.

Molecular Properties

Compound Namephenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine
PubChem CID118145162
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Namephenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine
SMILES[H]/N=C(\c1ccccc1)c1cc(-c2ccccc2)ccc1/C=C/n1c2ccccc2c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H36N2/c53-51(38-18-6-2-7-19-38)46-34-39(36-16-4-1-5-17-36)29-28-37(46)32-33-54-49-27-15-12-24-44(49)45-31-30-41(35-50(45)54)52(40-20-8-3-9-21-40)47-25-13-10-22-42(47)43-23-11-14-26-48(43)52/h1-35,53H/b33-32+,53-51+
InChIKeySVCCTRLNGSFSLW-RAXMEIQJSA-N
XLogP12.87
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 512.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[4-(9-phenylfluoren-9-yl)phenyl]methanimine
CID 167230637
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
3-[9-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[2-[4-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[3-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161306862
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3,9,9-triphenylfluorene
CID 140844354
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-1-yl)carbazole
CID 90216145

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine?
The IUPAC name of phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine (CID 118145162) is phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine.
What is the SMILES notation for phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine?
The canonical SMILES for phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine is [H]/N=C(\c1ccccc1)c1cc(-c2ccccc2)ccc1/C=C/n1c2ccccc2c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine?
The InChIKey is SVCCTRLNGSFSLW-RAXMEIQJSA-N. The full InChI is InChI=1S/C52H36N2/c53-51(38-18-6-2-7-19-38)46-34-39(36-16-4-1-5-17-36)29-28-37(46)32-33-54-49-27-15-12-24-44(49)45-31-30-41(35-50(45)54)52(40-20-8-3-9-21-40)47-25-13-10-22-42(47)43-23-11-14-26-48(43)52/h1-35,53H/b33-32+,53-51+.
What are the key properties of phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine?
phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine has a molecular weight of 688.87 g/mol, XLogP of 12.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-phenyl-2-[(E)-2-[2-(9-phenylfluoren-9-yl)carbazol-9-yl]ethenyl]phenyl]methanimine is sourced from PubChem (CID 118145162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).