4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole

C25H17BrIN2- — CID 171084595

IUPAC4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole
SMILESC[I-]c1cc(Br)c2[nH]c3cc4c5ccccc5n(-c5ccccc5)c4cc3c2c1
InChIInChI=1S/C25H17BrIN2/c1-27-15-11-20-18-14-24-19(13-22(18)28-25(20)21(26)12-15)17-9-5-6-10-23(17)29(24)16-7-3-2-4-8-16/h2-14,28H,1H3/q-1
InChIKeyMFTFNNBFKRJHSZ-UHFFFAOYSA-N
MW552.23 g/mol
LogP4.07
Rot. Bonds2

About 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole

4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole (PubChem CID 171084595) has the molecular formula C25H17BrIN2- and a molecular weight of 552.23 g/mol. Its IUPAC name is 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole.

Molecular Properties

Compound Name4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole
PubChem CID171084595
Molecular FormulaC25H17BrIN2-
Molecular Weight552.23 g/mol
Exact Mass550.96
IUPAC Name4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole
SMILESC[I-]c1cc(Br)c2[nH]c3cc4c5ccccc5n(-c5ccccc5)c4cc3c2c1
InChIInChI=1S/C25H17BrIN2/c1-27-15-11-20-18-14-24-19(13-22(18)28-25(20)21(26)12-15)17-9-5-6-10-23(17)29(24)16-7-3-2-4-8-16/h2-14,28H,1H3/q-1
InChIKeyMFTFNNBFKRJHSZ-UHFFFAOYSA-N
XLogP4.07
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 139504800
13,30,47-triphenyl-3,13,20,30,37,47-hexazatridecacyclo[34.15.0.02,18.04,16.06,14.07,12.019,35.021,33.023,31.024,29.038,50.040,48.041,46]henpentaconta-1,4(16),5,7,9,11,14,18,21(33),22,24,26,28,31,35,38(50),39,41,43,45,48-henicosaene-17,34,51-trione
CID 142384549
20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 166015522
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
4,19-diphenyl-4,15,19-triazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 139504777
11-phenyl-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933239
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole?
The IUPAC name of 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole (CID 171084595) is 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole.
What is the SMILES notation for 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole?
The canonical SMILES for 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole is C[I-]c1cc(Br)c2[nH]c3cc4c5ccccc5n(-c5ccccc5)c4cc3c2c1.
What is the InChIKey of 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole?
The InChIKey is MFTFNNBFKRJHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrIN2/c1-27-15-11-20-18-14-24-19(13-22(18)28-25(20)21(26)12-15)17-9-5-6-10-23(17)29(24)16-7-3-2-4-8-16/h2-14,28H,1H3/q-1.
What are the key properties of 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole?
4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole has a molecular weight of 552.23 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyliodanuidyl-11-phenyl-5H-indolo[3,2-b]carbazole is sourced from PubChem (CID 171084595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).