4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline

C33H23N3 — CID 170530692

IUPAC4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cnc4c5ccccc5c5ccccc5n34)cc2)cc1
InChIInChI=1S/C33H23N3/c1-3-11-25(12-4-1)35(26-13-5-2-6-14-26)27-21-19-24(20-22-27)32-23-34-33-30-17-8-7-15-28(30)29-16-9-10-18-31(29)36(32)33/h1-23H
InChIKeyCIMRVOYCLPYFNL-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.78
Rot. Bonds4

About 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline

4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline (PubChem CID 170530692) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
PubChem CID170530692
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cnc4c5ccccc5c5ccccc5n34)cc2)cc1
InChIInChI=1S/C33H23N3/c1-3-11-25(12-4-1)35(26-13-5-2-6-14-26)27-21-19-24(20-22-27)32-23-34-33-30-17-8-7-15-28(30)29-16-9-10-18-31(29)36(32)33/h1-23H
InChIKeyCIMRVOYCLPYFNL-UHFFFAOYSA-N
XLogP8.78
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
CID 170530717
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 71251507
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
3-(2,6-dimethylphenyl)-N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-N-phenylimidazo[1,2-f]phenanthridin-11-amine
CID 140593345
N-[4-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 58037906
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-amine
CID 118179927
16-phenyl-N,N-bis(4-phenylphenyl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaen-20-amine
CID 142398641

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline?
The IUPAC name of 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline (CID 170530692) is 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline.
What is the SMILES notation for 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline?
The canonical SMILES for 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3cnc4c5ccccc5c5ccccc5n34)cc2)cc1.
What is the InChIKey of 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline?
The InChIKey is CIMRVOYCLPYFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-3-11-25(12-4-1)35(26-13-5-2-6-14-26)27-21-19-24(20-22-27)32-23-34-33-30-17-8-7-15-28(30)29-16-9-10-18-31(29)36(32)33/h1-23H.
What are the key properties of 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline?
4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline has a molecular weight of 461.57 g/mol, XLogP of 8.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline is sourced from PubChem (CID 170530692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).