21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

C29H16BrF2N — CID 142750588

IUPAC21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESFC1(F)c2cc(Br)ccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C29H16BrF2N/c30-17-14-15-21-23(16-17)29(31,32)27-25(21)19-10-4-5-11-20(19)26-22-12-6-7-13-24(22)33(28(26)27)18-8-2-1-3-9-18/h1-16H
InChIKeyUEIPCDOJMSYLGQ-UHFFFAOYSA-N
MW496.35 g/mol
LogP8.82
Rot. Bonds1

About 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene

21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (PubChem CID 142750588) has the molecular formula C29H16BrF2N and a molecular weight of 496.35 g/mol. Its IUPAC name is 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
PubChem CID142750588
Molecular FormulaC29H16BrF2N
Molecular Weight496.35 g/mol
Exact Mass495.04
IUPAC Name21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
SMILESFC1(F)c2cc(Br)ccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C29H16BrF2N/c30-17-14-15-21-23(16-17)29(31,32)27-25(21)19-10-4-5-11-20(19)26-22-12-6-7-13-24(22)33(28(26)27)18-8-2-1-3-9-18/h1-16H
InChIKeyUEIPCDOJMSYLGQ-UHFFFAOYSA-N
XLogP8.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.35
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

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3,6-Dibromo-9-(2-naphthalenyl)-9H-carbazole
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3-(3-Bromophenyl)-9-phenyl-9H-carbazole
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3-Bromo-9-(1-naphthyl)-9H-carbazole
CID 59561149
9-(4-Biphenylyl)-3-(4-bromophenyl)carbazole
CID 59728582
2-Bromo-9-(2-naphthyl)-9H-carbazole
CID 71302478
3,6-Dibromo-9-(triphenylen-2-yl)carbazole
CID 89492331
2-(3-Bromophenyl)-9-phenyl-9H-carbazole
CID 90216112

Frequently Asked Questions

What is the IUPAC name of 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene (CID 142750588) is 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is FC1(F)c2cc(Br)ccc2-c2c1c1c(c3ccccc23)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
The InChIKey is UEIPCDOJMSYLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16BrF2N/c30-17-14-15-21-23(16-17)29(31,32)27-25(21)19-10-4-5-11-20(19)26-22-12-6-7-13-24(22)33(28(26)27)18-8-2-1-3-9-18/h1-16H.
What are the key properties of 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene?
21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene has a molecular weight of 496.35 g/mol, XLogP of 8.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21-bromo-24,24-difluoro-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 142750588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).