6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole

C42H29FN4O — CID 140954673

IUPAC6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
SMILESCC1(C)c2ccccc2Oc2c(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc3c(c21)c1ccccc1n3-c1ccccn1
InChIInChI=1S/C42H29FN4O/c1-42(2)31-13-5-8-16-35(31)48-40-30(24-34-37(38(40)42)28-12-4-7-15-33(28)47(34)36-17-9-10-20-44-36)39(43)25-18-19-26-27-11-3-6-14-32(27)46-22-21-45-41(46)29(26)23-25/h3-24,39H,1-2H3
InChIKeyRZYQAXHYUKZJJA-UHFFFAOYSA-N
MW624.72 g/mol
LogP10.62
Rot. Bonds3

About 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole

6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole (PubChem CID 140954673) has the molecular formula C42H29FN4O and a molecular weight of 624.72 g/mol. Its IUPAC name is 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole.

Molecular Properties

Compound Name6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
PubChem CID140954673
Molecular FormulaC42H29FN4O
Molecular Weight624.72 g/mol
Exact Mass624.23
IUPAC Name6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole
SMILESCC1(C)c2ccccc2Oc2c(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc3c(c21)c1ccccc1n3-c1ccccn1
InChIInChI=1S/C42H29FN4O/c1-42(2)31-13-5-8-16-35(31)48-40-30(24-34-37(38(40)42)28-12-4-7-15-33(28)47(34)36-17-9-10-20-44-36)39(43)25-18-19-26-27-11-3-6-14-32(27)46-22-21-45-41(46)29(26)23-25/h3-24,39H,1-2H3
InChIKeyRZYQAXHYUKZJJA-UHFFFAOYSA-N
XLogP10.62
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.72
LogP ≤ 510.62
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

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CID 118707953
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CID 146025712
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6-(2-Fluoro-3-methoxyphenyl)-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine
CID 155552901
6-[6-(3-Ethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]quinoline
CID 155554084
2-[[2-[(1R)-2,2-dimethylcyclopropyl]-1-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]benzimidazol-5-yl]oxymethyl]quinoline
CID 90440786
US10676479, Example 26
CID 139346193
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Frequently Asked Questions

What is the IUPAC name of 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
The IUPAC name of 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole (CID 140954673) is 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole.
What is the SMILES notation for 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
The canonical SMILES for 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole is CC1(C)c2ccccc2Oc2c(C(F)c3ccc4c5ccccc5n5ccnc5c4c3)cc3c(c21)c1ccccc1n3-c1ccccn1.
What is the InChIKey of 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
The InChIKey is RZYQAXHYUKZJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN4O/c1-42(2)31-13-5-8-16-35(31)48-40-30(24-34-37(38(40)42)28-12-4-7-15-33(28)47(34)36-17-9-10-20-44-36)39(43)25-18-19-26-27-11-3-6-14-32(27)46-22-21-45-41(46)29(26)23-25/h3-24,39H,1-2H3.
What are the key properties of 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole?
6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole has a molecular weight of 624.72 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[fluoro(imidazo[1,2-f]phenanthridin-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-ylchromeno[2,3-c]carbazole is sourced from PubChem (CID 140954673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).