9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C30H18BrFN2 — CID 162485423

IUPAC9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESFc1cccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1Br
InChIInChI=1S/C30H18BrFN2/c31-30-22(32)13-8-16-27(30)34-24-15-7-5-12-21(24)29-26(34)18-17-25-28(29)20-11-4-6-14-23(20)33(25)19-9-2-1-3-10-19/h1-18H
InChIKeyNVRDOKYOKBDDOF-UHFFFAOYSA-N
MW505.39 g/mol
LogP8.78
Rot. Bonds2

About 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 162485423) has the molecular formula C30H18BrFN2 and a molecular weight of 505.39 g/mol. Its IUPAC name is 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID162485423
Molecular FormulaC30H18BrFN2
Molecular Weight505.39 g/mol
Exact Mass504.06
IUPAC Name9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESFc1cccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1Br
InChIInChI=1S/C30H18BrFN2/c31-30-22(32)13-8-16-27(30)34-24-15-7-5-12-21(24)29-26(34)18-17-25-28(29)20-11-4-6-14-23(20)33(25)19-9-2-1-3-10-19/h1-18H
InChIKeyNVRDOKYOKBDDOF-UHFFFAOYSA-N
XLogP8.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.39
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

9-(4-Bromophenyl)carbazole
CID 22361390
9-(3-Bromophenyl)carbazole
CID 58690888
9-(2-Bromophenyl)-9H-carbazole
CID 59465012
4,4'-Bis(9H-carbazol-9-yl)biphenyl
CID 11248716
2,2'-Di(9H-carbazol-9-yl)biphenyl
CID 12046749
4,4'-Bis(9-carbazolyl)-2,2'-dimethylbiphenyl
CID 22020378
3,3'-Di(9H-carbazol-9-yl)-1,1'-biphenyl
CID 23386664
2,2'-Bis(4-(carbazol-9-yl)phenyl)-biphenyl
CID 57935312
3,5-(Di-9-Carbazolyl)Bromobenzene
CID 59770826
9-(3-(9H-carbazol-9-yl)phenyl)-9H-3,9'-bicarbazole
CID 117957864
3-Bromo-9-(2-naphthyl)carbazole
CID 68358431
1-Bromo-9-phenyl-9H-carbazole
CID 23031043

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 162485423) is 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Fc1cccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)c1Br.
What is the InChIKey of 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is NVRDOKYOKBDDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18BrFN2/c31-30-22(32)13-8-16-27(30)34-24-15-7-5-12-21(24)29-26(34)18-17-25-28(29)20-11-4-6-14-23(20)33(25)19-9-2-1-3-10-19/h1-18H.
What are the key properties of 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 505.39 g/mol, XLogP of 8.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromo-3-fluorophenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 162485423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).