[4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine

C50H37N3 — CID 153329214

IUPAC[4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine
SMILESNC(c1ccccc1)(c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc2c3ccccc3c3ccccc3c2c1.[H]N=C
InChIInChI=1S/C49H34N2.CH3N/c50-49(35-14-2-1-3-15-35,37-29-30-43-41-19-5-4-17-39(41)40-18-6-7-20-42(40)46(43)32-37)36-27-25-33(26-28-36)34-13-12-16-38(31-34)51-47-23-10-8-21-44(47)45-22-9-11-24-48(45)51;1-2/h1-32H,50H2;2H,1H2
InChIKeyLWVLXCKUCSHJNZ-UHFFFAOYSA-N
MW679.87 g/mol
LogP12.43
Rot. Bonds5

About [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine

[4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine (PubChem CID 153329214) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine.

Molecular Properties

Compound Name[4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine
PubChem CID153329214
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name[4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine
SMILESNC(c1ccccc1)(c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc2c3ccccc3c3ccccc3c2c1.[H]N=C
InChIInChI=1S/C49H34N2.CH3N/c50-49(35-14-2-1-3-15-35,37-29-30-43-41-19-5-4-17-39(41)40-18-6-7-20-42(40)46(43)32-37)36-27-25-33(26-28-36)34-13-12-16-38(31-34)51-47-23-10-8-21-44(47)45-22-9-11-24-48(45)51;1-2/h1-32H,50H2;2H,1H2
InChIKeyLWVLXCKUCSHJNZ-UHFFFAOYSA-N
XLogP12.43
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 512.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-[3-(7-phenyltriphenylen-2-yl)phenyl]carbazole
CID 174278174
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271

Frequently Asked Questions

What is the IUPAC name of [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine?
The IUPAC name of [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine (CID 153329214) is [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine.
What is the SMILES notation for [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine?
The canonical SMILES for [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine is NC(c1ccccc1)(c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1)c1ccc2c3ccccc3c3ccccc3c2c1.[H]N=C.
What is the InChIKey of [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine?
The InChIKey is LWVLXCKUCSHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2.CH3N/c50-49(35-14-2-1-3-15-35,37-29-30-43-41-19-5-4-17-39(41)40-18-6-7-20-42(40)46(43)32-37)36-27-25-33(26-28-36)34-13-12-16-38(31-34)51-47-23-10-8-21-44(47)45-22-9-11-24-48(45)51;1-2/h1-32H,50H2;2H,1H2.
What are the key properties of [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine?
[4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine has a molecular weight of 679.87 g/mol, XLogP of 12.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-carbazol-9-ylphenyl)phenyl]-phenyl-triphenylen-2-ylmethanamine;methanimine is sourced from PubChem (CID 153329214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).