12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene

C34H20Br2N2 — CID 163799671

IUPAC12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
SMILESBrc1cc2c(c3ccccc3n2-c2ccccc2)c2c(Br)cc3c(c4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C34H20Br2N2/c35-25-19-29-31(23-15-7-9-17-27(23)37(29)21-11-3-1-4-12-21)33-26(36)20-30-32(34(25)33)24-16-8-10-18-28(24)38(30)22-13-5-2-6-14-22/h1-20H
InChIKeyNDWRIXULTRZJLY-UHFFFAOYSA-N
MW616.36 g/mol
LogP10.56
Rot. Bonds2

About 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene

12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene (PubChem CID 163799671) has the molecular formula C34H20Br2N2 and a molecular weight of 616.36 g/mol. Its IUPAC name is 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene.

Molecular Properties

Compound Name12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
PubChem CID163799671
Molecular FormulaC34H20Br2N2
Molecular Weight616.36 g/mol
Exact Mass614.00
IUPAC Name12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene
SMILESBrc1cc2c(c3ccccc3n2-c2ccccc2)c2c(Br)cc3c(c4ccccc4n3-c3ccccc3)c12
InChIInChI=1S/C34H20Br2N2/c35-25-19-29-31(23-15-7-9-17-27(23)37(29)21-11-3-1-4-12-21)33-26(36)20-30-32(34(25)33)24-16-8-10-18-28(24)38(30)22-13-5-2-6-14-22/h1-20H
InChIKeyNDWRIXULTRZJLY-UHFFFAOYSA-N
XLogP10.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.36
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene with MolForge

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Related Compounds

2,4-dibromo-9-(4-phenylphenyl)carbazole
CID 118508105
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
16-bromo-9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
CID 87411988
9-phenyl-14-[10-(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-nonaen-9-yl)anthracen-9-yl]-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 170394033
9-[3-(3-carbazol-9-ylphenyl)phenyl]-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 134168669
12-tert-butyl-5,7-diphenylindolo[2,3-b]carbazole
CID 146579181
4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
CID 90249088
12-(2-bromophenyl)-5-phenylindolo[3,2-c]carbazole
CID 126652646
5-bromo-11-phenylbenzo[a]carbazole
CID 58410432
2,9-diphenylcarbazol-4-amine
CID 154950470
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene?
The IUPAC name of 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene (CID 163799671) is 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene.
What is the SMILES notation for 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene?
The canonical SMILES for 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene is Brc1cc2c(c3ccccc3n2-c2ccccc2)c2c(Br)cc3c(c4ccccc4n3-c3ccccc3)c12.
What is the InChIKey of 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene?
The InChIKey is NDWRIXULTRZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Br2N2/c35-25-19-29-31(23-15-7-9-17-27(23)37(29)21-11-3-1-4-12-21)33-26(36)20-30-32(34(25)33)24-16-8-10-18-28(24)38(30)22-13-5-2-6-14-22/h1-20H.
What are the key properties of 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene?
12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene has a molecular weight of 616.36 g/mol, XLogP of 10.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,24-dibromo-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1,3,5,7,10,12,14(22),15,17,19,23-undecaene is sourced from PubChem (CID 163799671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).