3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine

C41H29N3 — CID 170530717

IUPAC3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
SMILESCc1cc(-c2cnc3c4ccccc4c4ccccc4n23)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C41H29N3/c1-26-23-28(40-25-42-41-36-15-4-3-11-32(36)33-12-5-10-18-39(33)44(40)41)19-21-30(26)31-22-20-29(24-27(31)2)43-37-16-8-6-13-34(37)35-14-7-9-17-38(35)43/h3-25H,1-2H3
InChIKeyZTTSYDNDEXWZBR-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.69
Rot. Bonds3

About 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine

3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine (PubChem CID 170530717) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
PubChem CID170530717
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine
SMILESCc1cc(-c2cnc3c4ccccc4c4ccccc4n23)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C
InChIInChI=1S/C41H29N3/c1-26-23-28(40-25-42-41-36-15-4-3-11-32(36)33-12-5-10-18-39(33)44(40)41)19-21-30(26)31-22-20-29(24-27(31)2)43-37-16-8-6-13-34(37)35-14-7-9-17-38(35)43/h3-25H,1-2H3
InChIKeyZTTSYDNDEXWZBR-UHFFFAOYSA-N
XLogP10.69
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.69
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

9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186
3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-8-pyrido[4,3-b]indol-5-ylpyrido[4,3-b]indole
CID 163828914
3-(4-carbazol-9-ylphenyl)-11-(9,9-diphenylfluoren-2-yl)imidazo[1,2-f]phenanthridine
CID 170530732
4-imidazo[1,2-f]phenanthridin-3-yl-N,N-diphenylaniline
CID 170530692
9-[3-[5-[5-(4-carbazol-9-yl-2-methylphenyl)-3-pyridinyl]-3-pyridinyl]-4-methylphenyl]carbazole
CID 123723589
9-[3-methyl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]phenyl]carbazole
CID 90249694
3-[9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]-2-methylcarbazol-3-yl]-2-methyl-9-[3-methyl-4-[2-methyl-4-(2-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 23397785
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
3,5-bis[4-(3-carbazol-9-ylcarbazol-9-yl)-2-methylphenyl]benzonitrile
CID 130353563

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine?
The IUPAC name of 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine (CID 170530717) is 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine is Cc1cc(-c2cnc3c4ccccc4c4ccccc4n23)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.
What is the InChIKey of 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine?
The InChIKey is ZTTSYDNDEXWZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-26-23-28(40-25-42-41-36-15-4-3-11-32(36)33-12-5-10-18-39(33)44(40)41)19-21-30(26)31-22-20-29(24-27(31)2)43-37-16-8-6-13-34(37)35-14-7-9-17-38(35)43/h3-25H,1-2H3.
What are the key properties of 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine?
3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine has a molecular weight of 563.70 g/mol, XLogP of 10.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 170530717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).