8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

C38H24N4O — CID 154611360

IUPAC8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
SMILESc1ccc(-c2cccc3c2c2ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc2c2nccn32)cc1
InChIInChI=1S/C38H24N4O/c1-2-9-25(10-3-1)28-12-8-14-34-37(28)31-19-17-26(23-32(31)38-40-21-22-41(34)38)43-27-16-18-30-29-11-4-5-13-33(29)42(35(30)24-27)36-15-6-7-20-39-36/h1-24H
InChIKeyPWAKSXUJHOWLMJ-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.59
Rot. Bonds4

About 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine

8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154611360) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
PubChem CID154611360
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
SMILESc1ccc(-c2cccc3c2c2ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc2c2nccn32)cc1
InChIInChI=1S/C38H24N4O/c1-2-9-25(10-3-1)28-12-8-14-34-37(28)31-19-17-26(23-32(31)38-40-21-22-41(34)38)43-27-16-18-30-29-11-4-5-13-33(29)42(35(30)24-27)36-15-6-7-20-39-36/h1-24H
InChIKeyPWAKSXUJHOWLMJ-UHFFFAOYSA-N
XLogP9.59
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.59
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

5,7-diphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154611490
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
5-[2,6-di(propan-2-yl)phenyl]-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610498
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
10,12-diphenyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[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 154610589
3-imidazo[1,2-f]phenanthridin-11-yloxy-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
CID 140953707
11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine
CID 154611261
16-tert-butyl-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 154610692
9-(5-phenylimidazo[1,2-f]phenanthridin-11-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 154610294
9-(5-phenylimidazo[1,2-f]phenanthridin-11-yl)oxy-2,5,16-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610868
3,5,6-triphenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine
CID 154610717
8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610256

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
The IUPAC name of 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine (CID 154611360) is 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
The canonical SMILES for 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is c1ccc(-c2cccc3c2c2ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc2c2nccn32)cc1.
What is the InChIKey of 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
The InChIKey is PWAKSXUJHOWLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-2-9-25(10-3-1)28-12-8-14-34-37(28)31-19-17-26(23-32(31)38-40-21-22-41(34)38)43-27-16-18-30-29-11-4-5-13-33(29)42(35(30)24-27)36-15-6-7-20-39-36/h1-24H.
What are the key properties of 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine?
8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine has a molecular weight of 552.64 g/mol, XLogP of 9.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154611360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).