11-benzyl-7-bromobenzo[a]carbazole

C23H16BrN — CID 177087123

IUPAC11-benzyl-7-bromobenzo[a]carbazole
SMILESBrc1cccc2c1c1ccc3ccccc3c1n2Cc1ccccc1
InChIInChI=1S/C23H16BrN/c24-20-11-6-12-21-22(20)19-14-13-17-9-4-5-10-18(17)23(19)25(21)15-16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyYDOSSIBPTGVNSQ-UHFFFAOYSA-N
MW386.29 g/mol
LogP6.76
Rot. Bonds2

About 11-benzyl-7-bromobenzo[a]carbazole

11-benzyl-7-bromobenzo[a]carbazole (PubChem CID 177087123) has the molecular formula C23H16BrN and a molecular weight of 386.29 g/mol. Its IUPAC name is 11-benzyl-7-bromobenzo[a]carbazole.

Molecular Properties

Compound Name11-benzyl-7-bromobenzo[a]carbazole
PubChem CID177087123
Molecular FormulaC23H16BrN
Molecular Weight386.29 g/mol
Exact Mass385.05
IUPAC Name11-benzyl-7-bromobenzo[a]carbazole
SMILESBrc1cccc2c1c1ccc3ccccc3c1n2Cc1ccccc1
InChIInChI=1S/C23H16BrN/c24-20-11-6-12-21-22(20)19-14-13-17-9-4-5-10-18(17)23(19)25(21)15-16-7-2-1-3-8-16/h1-14H,15H2
InChIKeyYDOSSIBPTGVNSQ-UHFFFAOYSA-N
XLogP6.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.29
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

12-benzyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 161201502
6-benzyl-1,6-diazaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24,26,28-tetradecaene
CID 142323947
12-benzyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 158312111
9-benzyl-2-bromocarbazole
CID 123133636
9,18-diethyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159952707
1-benzylindol-2-amine
CID 91418343
2-[7-(2-amino-2-oxoethyl)-11-benzylbenzo[a]carbazol-6-yl]oxyacetic acid
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9-benzyl-25-ethyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
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Frequently Asked Questions

What is the IUPAC name of 11-benzyl-7-bromobenzo[a]carbazole?
The IUPAC name of 11-benzyl-7-bromobenzo[a]carbazole (CID 177087123) is 11-benzyl-7-bromobenzo[a]carbazole.
What is the SMILES notation for 11-benzyl-7-bromobenzo[a]carbazole?
The canonical SMILES for 11-benzyl-7-bromobenzo[a]carbazole is Brc1cccc2c1c1ccc3ccccc3c1n2Cc1ccccc1.
What is the InChIKey of 11-benzyl-7-bromobenzo[a]carbazole?
The InChIKey is YDOSSIBPTGVNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN/c24-20-11-6-12-21-22(20)19-14-13-17-9-4-5-10-18(17)23(19)25(21)15-16-7-2-1-3-8-16/h1-14H,15H2.
What are the key properties of 11-benzyl-7-bromobenzo[a]carbazole?
11-benzyl-7-bromobenzo[a]carbazole has a molecular weight of 386.29 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-7-bromobenzo[a]carbazole is sourced from PubChem (CID 177087123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).