3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

C46H38N4O — CID 154627653

IUPAC3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
SMILESCCc1cccc(C2CCCCC2)c1-c1cnc2c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccccc3n12
InChIInChI=1S/C46H38N4O/c1-2-30-15-12-18-34(31-13-4-3-5-14-31)45(30)43-29-48-46-39-27-32(22-24-35(39)36-16-6-9-20-41(36)50(43)46)51-33-23-25-38-37-17-7-8-19-40(37)49(42(38)28-33)44-21-10-11-26-47-44/h6-12,15-29,31H,2-5,13-14H2,1H3
InChIKeyLQAMSPSNPAEMFP-UHFFFAOYSA-N
MW662.84 g/mol
LogP12.20
Rot. Bonds6

About 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154627653) has the molecular formula C46H38N4O and a molecular weight of 662.84 g/mol. Its IUPAC name is 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
PubChem CID154627653
Molecular FormulaC46H38N4O
Molecular Weight662.84 g/mol
Exact Mass662.30
IUPAC Name3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
SMILESCCc1cccc(C2CCCCC2)c1-c1cnc2c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccccc3n12
InChIInChI=1S/C46H38N4O/c1-2-30-15-12-18-34(31-13-4-3-5-14-31)45(30)43-29-48-46-39-27-32(22-24-35(39)36-16-6-9-20-41(36)50(43)46)51-33-23-25-38-37-17-7-8-19-40(37)49(42(38)28-33)44-21-10-11-26-47-44/h6-12,15-29,31H,2-5,13-14H2,1H3
InChIKeyLQAMSPSNPAEMFP-UHFFFAOYSA-N
XLogP12.20
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-cyclopentyl-2,6-bis(2-methylpropyl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 140723612
3-(2,6-dimethylphenyl)-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948574
3,6-bis(2,6-dimethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611519
2-[3-[5-(2,6-dicyclohexylphenyl)-1H-imidazol-2-yl]-4-phenylphenoxy]-9-pyridin-2-ylcarbazole
CID 140940225
3,6-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611603
3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610717
12,12,13,13-tetramethyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2(7),3,5,8,10,14,16-octaene
CID 172504692
12-pyridin-2-yl-10-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-[1]benzothiolo[3,2-a]carbazole
CID 140952983
4-(9-pyridin-2-ylcarbazol-2-yl)oxy-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 140950405
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140948681
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[3-[4-(2,6-dicyclohexylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153443267

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
The IUPAC name of 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (CID 154627653) is 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
The canonical SMILES for 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is CCc1cccc(C2CCCCC2)c1-c1cnc2c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccccc3n12.
What is the InChIKey of 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
The InChIKey is LQAMSPSNPAEMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N4O/c1-2-30-15-12-18-34(31-13-4-3-5-14-31)45(30)43-29-48-46-39-27-32(22-24-35(39)36-16-6-9-20-41(36)50(43)46)51-33-23-25-38-37-17-7-8-19-40(37)49(42(38)28-33)44-21-10-11-26-47-44/h6-12,15-29,31H,2-5,13-14H2,1H3.
What are the key properties of 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine has a molecular weight of 662.84 g/mol, XLogP of 12.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyl-6-ethylphenyl)-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154627653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).