10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C20H15BrN2 — CID 70665224

IUPAC10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-n2c3ccncc3c3cc(Br)cc1c32
InChIInChI=1S/C20H15BrN2/c1-20(2)15-5-3-4-6-18(15)23-17-7-8-22-11-14(17)13-9-12(21)10-16(20)19(13)23/h3-11H,1-2H3
InChIKeyUXNDUQMDSPBSAB-UHFFFAOYSA-N
MW363.26 g/mol
LogP5.58
Rot. Bonds

About 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 70665224) has the molecular formula C20H15BrN2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
PubChem CID70665224
Molecular FormulaC20H15BrN2
Molecular Weight363.26 g/mol
Exact Mass362.04
IUPAC Name10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2ccccc2-n2c3ccncc3c3cc(Br)cc1c32
InChIInChI=1S/C20H15BrN2/c1-20(2)15-5-3-4-6-18(15)23-17-7-8-22-11-14(17)13-9-12(21)10-16(20)19(13)23/h3-11H,1-2H3
InChIKeyUXNDUQMDSPBSAB-UHFFFAOYSA-N
XLogP5.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.26
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

5,13,13-trimethyl-1,17-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 144808835
13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893337
(5-borono-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl)boronic acid
CID 154593081
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 88855533
13,13-dimethyl-5,10-bis(4-phenylnaphthalen-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70892990
4-N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
13,13-dimethyl-5,10-di(quinolin-2-yl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70885595
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
7-bromo-5-phenylpyrido[4,3-b]indole
CID 129221574
13,13-dimethyl-5,10-dinaphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70893315
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809

Frequently Asked Questions

What is the IUPAC name of 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 70665224) is 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is CC1(C)c2ccccc2-n2c3ccncc3c3cc(Br)cc1c32.
What is the InChIKey of 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The InChIKey is UXNDUQMDSPBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN2/c1-20(2)15-5-3-4-6-18(15)23-17-7-8-22-11-14(17)13-9-12(21)10-16(20)19(13)23/h3-11H,1-2H3.
What are the key properties of 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 363.26 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-13,13-dimethyl-1,5-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 70665224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).